Showing NP-Card for Teicoplanin product I (NP0023423)
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| Version | 1.0 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Created at | 2021-01-06 08:30:26 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Updated at | 2021-07-15 17:41:42 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| NP-MRD ID | NP0023423 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Secondary Accession Numbers | None | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Natural Product Identification | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Common Name | Teicoplanin product I | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Provided By | NPAtlas | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Description | Teicoplanin product I belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds. Teicoplanin product I is found in Actinoplanes teichomyceticus. It was first documented in 1997 (PMID: 9099232). Based on a literature review very few articles have been published on Teicoplanin product I. | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Structure |  MOL for NP0023423 (Teicoplanin product I)
Mrv1652307042108183D
225238 0 0 0 0 999 V2000
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M END
3D MOL for NP0023423 (Teicoplanin product I)
RDKit 3D
225238 0 0 0 0 0 0 0 0999 V2000
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14125 1 0
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127128 1 0
126129 1 0
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131132 1 0
131 13 1 0
21 16 2 0
28 23 1 0
41 32 1 0
123 46 1 0
71 17 1 0
83 77 1 0
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128221 1 0
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130223 1 0
131224 1 1
132225 1 0
M END
3D SDF for NP0023423 (Teicoplanin product I)
Mrv1652307042108183D
225238 0 0 0 0 999 V2000
14.6678 -5.8938 2.1309 C 0 0 0 0 0 0 0 0 0 0 0 0
14.1068 -7.2529 2.4676 C 0 0 2 0 0 0 0 0 0 0 0 0
12.7475 -7.4935 2.0007 C 0 0 0 0 0 0 0 0 0 0 0 0
12.0051 -6.6432 1.3318 C 0 0 0 0 0 0 0 0 0 0 0 0
10.5991 -6.9930 0.8949 C 0 0 2 0 0 0 0 0 0 0 0 0
9.6475 -6.0131 1.5284 C 0 0 0 0 0 0 0 0 0 0 0 0
10.1130 -5.0775 2.3078 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2643 -4.0806 2.9689 C 0 0 2 0 0 0 0 0 0 0 0 0
7.8273 -4.1399 2.6787 C 0 0 1 0 0 0 0 0 0 0 0 0
7.4729 -3.8577 1.2370 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3804 -3.6191 0.4060 O 0 0 0 0 0 0 0 0 0 0 0 0
6.1090 -3.8841 0.9418 N 0 0 0 0 0 0 0 0 0 0 0 0
5.5450 -3.6404 -0.3519 C 0 0 1 0 0 0 0 0 0 0 0 0
5.1549 -2.1719 -0.4831 C 0 0 1 0 0 0 0 0 0 0 0 0
4.7444 -1.7502 0.7583 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6960 -0.9670 1.1405 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8167 0.4206 1.1083 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8108 1.2343 1.5175 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5480 0.7735 1.9891 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4695 -0.6246 2.0074 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4524 -1.4598 1.6089 C 0 0 0 0 0 0 0 0 0 0 0 0
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0.3930 1.7333 2.1070 C 0 0 1 0 0 0 0 0 0 0 0 0
0.7687 2.9665 2.8006 N 0 0 0 0 0 0 0 0 0 0 0 0
0.6254 4.2899 2.4434 C 0 0 0 0 0 0 0 0 0 0 0 0
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1.0244 5.1173 1.2913 C 0 0 2 0 0 0 0 0 0 0 0 0
2.4256 5.3492 0.9758 N 0 0 0 0 0 0 0 0 0 0 0 0
3.0699 6.2490 0.1331 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9376 7.0408 0.6982 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0285 6.5731 -1.3316 C 0 0 2 0 0 0 0 0 0 0 0 0
4.1739 5.8578 -2.0777 C 0 0 2 0 0 0 0 0 0 0 0 0
4.5434 4.5576 -1.4615 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0374 3.3741 -1.9865 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2848 2.1452 -1.2980 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9785 2.0841 -0.1619 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4973 3.2054 0.3539 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5791 3.4511 1.7953 Cl 0 0 0 0 0 0 0 0 0 0 0 0
5.2732 4.4576 -0.3057 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1154 0.8061 0.5451 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1663 8.0016 -1.5900 N 0 0 0 0 0 0 0 0 0 0 0 0
3.0795 8.8317 -2.6950 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2421 9.1418 -3.2694 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9909 9.4950 -3.4162 C 0 0 2 0 0 0 0 0 0 0 0 0
2.4467 10.8174 -3.8900 N 0 0 1 0 0 0 0 0 0 0 0 0
0.6795 9.7088 -2.7061 C 0 0 0 0 0 0 0 0 0 0 0 0
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-0.2296 9.0001 2.4105 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5252 8.2119 3.2584 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9221 8.6998 4.4668 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8188 6.9562 2.7828 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3791 6.4878 1.5238 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3677 7.2833 0.7105 C 0 0 0 0 0 0 0 0 0 0 0 0
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-10.1864 2.9809 1.9975 O 0 0 0 0 0 0 0 0 0 0 0 0
-10.3266 4.1130 2.7430 C 0 0 1 0 0 0 0 0 0 0 0 0
-11.4475 4.0058 3.7586 C 0 0 1 0 0 0 0 0 0 0 0 0
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-9.0356 4.5417 3.4057 C 0 0 2 0 0 0 0 0 0 0 0 0
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6.2499 -1.3864 -0.9237 O 0 0 0 0 0 0 0 0 0 0 0 0
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6.2983 -4.1875 -1.5055 C 0 0 2 0 0 0 0 0 0 0 0 0
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113114 2 0 0 0 0
114115 1 0 0 0 0
114116 1 0 0 0 0
116117 2 0 0 0 0
117118 1 0 0 0 0
118119 1 0 0 0 0
119120 2 0 0 0 0
119121 1 0 0 0 0
118122 1 0 0 0 0
122123 1 0 0 0 0
123124 2 0 0 0 0
14125 1 0 0 0 0
125126 1 0 0 0 0
126127 1 0 0 0 0
127128 1 0 0 0 0
126129 1 0 0 0 0
129130 1 0 0 0 0
129131 1 0 0 0 0
131132 1 0 0 0 0
131 13 1 0 0 0 0
21 16 2 0 0 0 0
28 23 1 0 0 0 0
41 32 1 0 0 0 0
123 46 1 0 0 0 0
71 17 1 0 0 0 0
83 77 1 0 0 0 0
91 85 1 0 0 0 0
98 92 1 0 0 0 0
117 99 1 0 0 0 0
54 19 1 0 0 0 0
90 58 1 0 0 0 0
111102 1 0 0 0 0
70 64 1 0 0 0 0
1133 1 0 0 0 0
1134 1 0 0 0 0
1135 1 0 0 0 0
2136 1 0 0 0 0
2137 1 0 0 0 0
3138 1 0 0 0 0
4139 1 0 0 0 0
5140 1 0 0 0 0
5141 1 0 0 0 0
6142 1 0 0 0 0
7143 1 0 0 0 0
8144 1 0 0 0 0
8145 1 0 0 0 0
9146 1 0 0 0 0
9147 1 0 0 0 0
12148 1 0 0 0 0
13149 1 1 0 0 0
14150 1 6 0 0 0
18151 1 0 0 0 0
20152 1 0 0 0 0
24153 1 0 0 0 0
25154 1 0 0 0 0
27155 1 0 0 0 0
30156 1 1 0 0 0
32157 1 1 0 0 0
34158 1 1 0 0 0
35159 1 0 0 0 0
35160 1 0 0 0 0
36161 1 0 0 0 0
37162 1 6 0 0 0
38163 1 0 0 0 0
39164 1 6 0 0 0
40165 1 0 0 0 0
41166 1 6 0 0 0
42167 1 0 0 0 0
44168 1 0 0 0 0
44169 1 0 0 0 0
44170 1 0 0 0 0
46171 1 1 0 0 0
47172 1 0 0 0 0
50173 1 1 0 0 0
51174 1 0 0 0 0
54175 1 6 0 0 0
55176 1 0 0 0 0
58177 1 6 0 0 0
59178 1 0 0 0 0
62179 1 6 0 0 0
63180 1 0 0 0 0
63181 1 0 0 0 0
65182 1 0 0 0 0
66183 1 0 0 0 0
70184 1 0 0 0 0
72185 1 0 0 0 0
75186 1 6 0 0 0
76187 1 0 0 0 0
76188 1 0 0 0 0
78189 1 0 0 0 0
79190 1 0 0 0 0
81191 1 0 0 0 0
83192 1 0 0 0 0
86193 1 0 0 0 0
88194 1 0 0 0 0
89195 1 0 0 0 0
91196 1 0 0 0 0
93197 1 0 0 0 0
94198 1 0 0 0 0
96199 1 0 0 0 0
98200 1 0 0 0 0
102201 1 6 0 0 0
104202 1 6 0 0 0
105203 1 0 0 0 0
105204 1 0 0 0 0
106205 1 0 0 0 0
107206 1 1 0 0 0
108207 1 0 0 0 0
109208 1 6 0 0 0
110209 1 0 0 0 0
111210 1 6 0 0 0
112211 1 0 0 0 0
113212 1 0 0 0 0
115213 1 0 0 0 0
116214 1 0 0 0 0
118215 1 1 0 0 0
121216 1 0 0 0 0
122217 1 0 0 0 0
126218 1 1 0 0 0
127219 1 0 0 0 0
127220 1 0 0 0 0
128221 1 0 0 0 0
129222 1 6 0 0 0
130223 1 0 0 0 0
131224 1 1 0 0 0
132225 1 0 0 0 0
M END
> <DATABASE_ID>
NP0023423
> <DATABASE_NAME>
NP-MRD
> <SMILES>
[H]OC(=O)[C@@]1([H])N([H])C(=O)[C@]2([H])N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]3([H])N([H])C(=O)[C@]4([H])N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])[H])C5=C([H])C([H])=C(O[H])C(OC6=C([H])C(O[H])=C([H])C4=C6[H])=C5[H])C([H])([H])C4=C([H])C([H])=C(OC5=C([H])C3=C([H])C(OC3=C([H])C([H])=C(C([H])=C3Cl)[C@]2([H])O[C@@]2([H])O[C@@]([H])(C([H])([H])O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]2([H])N([H])C(=O)C([H])([H])[H])=C5O[C@@]2([H])O[C@]([H])(C([H])([H])O[H])[C@]([H])(O[H])[C@]([H])(O[H])[C@@]2([H])N([H])C(=O)C([H])([H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C([H])([H])[H])C(Cl)=C4[H])C2=C([H])C([H])=C(O[H])C(=C2[H])C2=C(O[C@@]3([H])O[C@@]([H])(C([H])([H])O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@@]3([H])O[H])C([H])=C(O[H])C([H])=C12
> <INCHI_IDENTIFIER>
InChI=1S/C88H93Cl2N9O33/c1-3-4-5-6-7-8-9-10-60(108)94-68-74(113)71(110)58(32-101)129-87(68)132-78-55-26-40-27-56(78)126-52-18-14-38(24-47(52)90)77(131-86-67(92-34(2)103)73(112)70(109)57(31-100)128-86)69-84(121)98-66(85(122)123)45-29-42(105)30-54(127-88-76(115)75(114)72(111)59(33-102)130-88)61(45)44-23-37(13-15-49(44)106)63(81(118)99-69)96-83(120)65(40)97-82(119)64-39-21-41(104)28-43(22-39)124-53-25-36(12-16-50(53)107)62(91)80(117)93-48(79(116)95-64)20-35-11-17-51(125-55)46(89)19-35/h4-5,7-8,11-19,21-30,48,57-59,62-77,86-88,100-102,104-107,109-115H,3,6,9-10,20,31-33,91H2,1-2H3,(H,92,103)(H,93,117)(H,94,108)(H,95,116)(H,96,120)(H,97,119)(H,98,121)(H,99,118)(H,122,123)/b5-4+,8-7+/t48-,57-,58+,59-,62+,63-,64+,65-,66-,67-,68+,69+,70-,71-,72-,73-,74+,75+,76+,77-,86+,87+,88-/m0/s1
> <INCHI_KEY>
QUDLVMPJKSJEDL-AOSYACOCSA-N
> <FORMULA>
C88H93Cl2N9O33
> <MOLECULAR_WEIGHT>
1875.64
> <EXACT_MASS>
1873.5252819
> <JCHEM_ACCEPTOR_COUNT>
31
> <JCHEM_ATOM_COUNT>
225
> <JCHEM_AVERAGE_POLARIZABILITY>
187.99394236899917
> <JCHEM_BIOAVAILABILITY>
0
> <JCHEM_DONOR_COUNT>
24
> <JCHEM_FORMAL_CHARGE>
0
> <JCHEM_GHOSE_FILTER>
0
> <JCHEM_IUPAC>
(1R,2S,19S,22R,34R,40S,52S)-22-amino-63,65-dichloro-64-{[(2R,3R,4R,5R,6R)-3-[(4E,7E)-deca-4,7-dienamido]-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-{[(2S,3S,4S,5R,6S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-26,31,44,49-tetrahydroxy-21,35,38,54,56,59-hexaoxo-47-{[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-7,13,28-trioxa-20,36,39,53,55,58-hexaazaundecacyclo[38.14.2.2^{3,6}.2^{14,17}.2^{19,34}.1^{8,12}.1^{23,27}.1^{29,33}.1^{41,45}.0^{10,37}.0^{46,51}]hexahexaconta-3,5,8(64),9,11,14,16,23,25,27(61),29,31,33(60),41,43,45(57),46,48,50,62,65-henicosaene-52-carboxylic acid
> <ALOGPS_LOGP>
2.35
> <JCHEM_LOGP>
-2.981832611722422
> <ALOGPS_LOGS>
-4.01
> <JCHEM_MDDR_LIKE_RULE>
1
> <JCHEM_NUMBER_OF_RINGS>
14
> <JCHEM_PHYSIOLOGICAL_CHARGE>
1
> <JCHEM_PKA>
8.179043692453824
> <JCHEM_PKA_STRONGEST_ACIDIC>
3.0361529492365333
> <JCHEM_PKA_STRONGEST_BASIC>
7.087995065723067
> <JCHEM_POLAR_SURFACE_AREA>
662.4100000000003
> <JCHEM_REFRACTIVITY>
453.14059999999995
> <JCHEM_ROTATABLE_BOND_COUNT>
18
> <JCHEM_RULE_OF_FIVE>
0
> <ALOGPS_SOLUBILITY>
1.83e-01 g/l
> <JCHEM_TRADITIONAL_IUPAC>
(1R,2S,19S,22R,34R,40S,52S)-22-amino-63,65-dichloro-64-{[(2R,3R,4R,5R,6R)-3-[(4E,7E)-deca-4,7-dienamido]-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-{[(2S,3S,4S,5R,6S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-26,31,44,49-tetrahydroxy-21,35,38,54,56,59-hexaoxo-47-{[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-7,13,28-trioxa-20,36,39,53,55,58-hexaazaundecacyclo[38.14.2.2^{3,6}.2^{14,17}.2^{19,34}.1^{8,12}.1^{23,27}.1^{29,33}.1^{41,45}.0^{10,37}.0^{46,51}]hexahexaconta-3,5,8(64),9,11,14,16,23,25,27(61),29,31,33(60),41,43,45(57),46,48,50,62,65-henicosaene-52-carboxylic acid
> <JCHEM_VEBER_RULE>
0
$$$$
3D-SDF for NP0023423 (Teicoplanin product I)
RDKit 3D
225238 0 0 0 0 0 0 0 0999 V2000
14.6678 -5.8938 2.1309 C 0 0 0 0 0 0 0 0 0 0 0 0
14.1068 -7.2529 2.4676 C 0 0 0 0 0 0 0 0 0 0 0 0
12.7475 -7.4935 2.0007 C 0 0 0 0 0 0 0 0 0 0 0 0
12.0051 -6.6432 1.3318 C 0 0 0 0 0 0 0 0 0 0 0 0
10.5991 -6.9930 0.8949 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6475 -6.0131 1.5284 C 0 0 0 0 0 0 0 0 0 0 0 0
10.1130 -5.0775 2.3078 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2643 -4.0806 2.9689 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8273 -4.1399 2.6787 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4729 -3.8577 1.2370 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3804 -3.6191 0.4060 O 0 0 0 0 0 0 0 0 0 0 0 0
6.1090 -3.8841 0.9418 N 0 0 0 0 0 0 0 0 0 0 0 0
5.5450 -3.6404 -0.3519 C 0 0 1 0 0 0 0 0 0 0 0 0
5.1549 -2.1719 -0.4831 C 0 0 1 0 0 0 0 0 0 0 0 0
4.7444 -1.7502 0.7583 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6960 -0.9670 1.1405 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8167 0.4206 1.1083 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8108 1.2343 1.5175 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5480 0.7735 1.9891 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4695 -0.6246 2.0074 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4524 -1.4598 1.6089 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4386 -2.9176 1.5441 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2194 -3.4401 0.9011 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2062 -3.7102 1.7831 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0832 -4.1723 1.3301 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2917 -4.3463 -0.0081 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2800 -4.0929 -0.8683 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0128 -3.6277 -0.3986 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0781 -3.4798 -1.8511 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.7446 -4.7096 -0.4763 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.9631 -4.8106 -1.8013 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6747 -5.9791 -2.4366 C 0 0 1 0 0 0 0 0 0 0 0 0
-3.7193 -6.9869 -2.3554 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0813 -8.1955 -2.5284 C 0 0 1 0 0 0 0 0 0 0 0 0
-4.0314 -9.3257 -2.8525 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9458 -9.5433 -1.8170 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0016 -8.1959 -3.5640 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.7444 -8.0816 -2.9600 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2243 -7.1302 -4.6010 C 0 0 1 0 0 0 0 0 0 0 0 0
-3.3554 -7.5266 -5.3389 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5078 -5.8285 -3.9217 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.5947 -4.7772 -4.2230 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.1840 -3.5231 -4.6987 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3025 -2.4109 -4.9925 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4536 -3.4901 -4.8291 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6738 -3.5791 -0.0563 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.9868 -2.2975 -0.1732 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.2550 -1.4249 0.6029 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0443 -1.2001 0.2309 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6231 -0.6686 1.8264 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.0092 0.6545 1.7542 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.9829 1.3628 2.3019 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3688 1.9553 3.4664 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3930 1.7333 2.1070 C 0 0 1 0 0 0 0 0 0 0 0 0
0.7687 2.9665 2.8006 N 0 0 0 0 0 0 0 0 0 0 0 0
0.6254 4.2899 2.4434 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0457 4.9677 3.3793 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0244 5.1173 1.2913 C 0 0 2 0 0 0 0 0 0 0 0 0
2.4256 5.3492 0.9758 N 0 0 0 0 0 0 0 0 0 0 0 0
3.0699 6.2490 0.1331 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9376 7.0408 0.6982 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0285 6.5731 -1.3316 C 0 0 2 0 0 0 0 0 0 0 0 0
4.1739 5.8578 -2.0777 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5434 4.5576 -1.4615 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0374 3.3741 -1.9865 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2848 2.1452 -1.2980 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9785 2.0841 -0.1619 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4973 3.2054 0.3539 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5791 3.4511 1.7953 Cl 0 0 0 0 0 0 0 0 0 0 0 0
5.2732 4.4576 -0.3057 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1154 0.8061 0.5451 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1663 8.0016 -1.5900 N 0 0 0 0 0 0 0 0 0 0 0 0
3.0795 8.8317 -2.6950 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2421 9.1418 -3.2694 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9909 9.4950 -3.4162 C 0 0 2 0 0 0 0 0 0 0 0 0
2.4467 10.8174 -3.8900 N 0 0 0 0 0 0 0 0 0 0 0 0
0.6795 9.7088 -2.7061 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3728 9.8245 -3.6471 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6930 9.8787 -3.2898 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9348 9.8021 -1.9326 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2847 9.8504 -1.5176 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9295 9.6863 -1.0091 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3940 9.6522 -1.3721 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3777 9.5556 0.3854 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6503 8.5534 1.1790 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2296 9.0001 2.4105 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5252 8.2119 3.2584 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9221 8.6998 4.4668 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8188 6.9562 2.7828 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3791 6.4878 1.5238 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3677 7.2833 0.7105 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1332 -0.4429 1.9880 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3951 -0.0269 3.3023 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6434 0.2639 3.7758 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.6677 0.1160 2.8538 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.9860 0.4025 3.2826 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.4225 -0.3033 1.5408 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1381 -0.5821 1.0939 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.6940 -0.4863 0.8077 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.6206 0.5612 0.7042 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.3359 1.7443 1.3136 O 0 0 0 0 0 0 0 0 0 0 0 0
-9.0648 2.9495 1.1945 C 0 0 1 0 0 0 0 0 0 0 0 0
-10.1864 2.9809 1.9975 O 0 0 0 0 0 0 0 0 0 0 0 0
-10.3266 4.1130 2.7430 C 0 0 1 0 0 0 0 0 0 0 0 0
-11.4475 4.0058 3.7586 C 0 0 0 0 0 0 0 0 0 0 0 0
-11.6066 5.1317 4.5272 O 0 0 0 0 0 0 0 0 0 0 0 0
-9.0356 4.5417 3.4057 C 0 0 2 0 0 0 0 0 0 0 0 0
-9.3441 5.5458 4.3112 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.1734 5.0761 2.2855 C 0 0 1 0 0 0 0 0 0 0 0 0
-6.8740 5.3438 2.7204 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.2643 4.1912 1.0989 C 0 0 1 0 0 0 0 0 0 0 0 0
-6.9753 3.8721 0.6278 O 0 0 0 0 0 0 0 0 0 0 0 0
-9.7773 0.4039 0.0069 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.1027 -0.7960 -0.6342 C 0 0 0 0 0 0 0 0 0 0 0 0
-11.2954 -0.9130 -1.3329 O 0 0 0 0 0 0 0 0 0 0 0 0
-9.2161 -1.8356 -0.5453 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.0668 -1.6823 0.1453 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.1497 -2.8883 0.2487 C 0 0 1 0 0 0 0 0 0 0 0 0
-8.0787 -4.0814 0.2100 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.8655 -4.9624 -0.6356 O 0 0 0 0 0 0 0 0 0 0 0 0
-9.1372 -4.1698 1.1051 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.1343 -2.9247 -0.7292 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.9124 -3.5977 -0.8650 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8645 -4.3807 -1.9066 O 0 0 0 0 0 0 0 0 0 0 0 0
6.2499 -1.3864 -0.9237 O 0 0 0 0 0 0 0 0 0 0 0 0
6.8436 -1.7868 -2.0648 C 0 0 2 0 0 0 0 0 0 0 0 0
6.4092 -0.8270 -3.1967 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0487 -0.8644 -3.3784 O 0 0 0 0 0 0 0 0 0 0 0 0
6.5078 -3.1571 -2.5587 C 0 0 2 0 0 0 0 0 0 0 0 0
5.4245 -3.1771 -3.4381 O 0 0 0 0 0 0 0 0 0 0 0 0
6.2983 -4.1875 -1.5055 C 0 0 2 0 0 0 0 0 0 0 0 0
5.6060 -5.2733 -2.1023 O 0 0 0 0 0 0 0 0 0 0 0 0
15.7972 -5.9752 2.1571 H 0 0 0 0 0 0 0 0 0 0 0 0
14.3750 -5.5692 1.1170 H 0 0 0 0 0 0 0 0 0 0 0 0
14.3883 -5.1714 2.9292 H 0 0 0 0 0 0 0 0 0 0 0 0
14.2167 -7.4036 3.5664 H 0 0 0 0 0 0 0 0 0 0 0 0
14.8001 -8.0103 2.0095 H 0 0 0 0 0 0 0 0 0 0 0 0
12.2712 -8.4656 2.2122 H 0 0 0 0 0 0 0 0 0 0 0 0
12.3899 -5.6687 1.0745 H 0 0 0 0 0 0 0 0 0 0 0 0
10.3348 -8.0159 1.2329 H 0 0 0 0 0 0 0 0 0 0 0 0
10.5336 -6.8740 -0.2033 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5923 -6.1226 1.3257 H 0 0 0 0 0 0 0 0 0 0 0 0
11.1947 -5.0270 2.5032 H 0 0 0 0 0 0 0 0 0 0 0 0
9.6025 -3.0332 2.6829 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3887 -4.1746 4.0961 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3489 -5.1260 2.9630 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2943 -3.3401 3.2469 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4176 -4.1081 1.7081 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5471 -4.2051 -0.3659 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3996 -2.0460 -1.2452 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1492 2.3257 1.6194 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5741 -1.1563 2.5161 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1786 -3.6843 2.8887 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6636 -4.3175 2.2815 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1682 -4.1795 -1.9743 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8954 -5.7308 -0.1048 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8992 -6.5082 -1.8656 H 0 0 0 0 0 0 0 0 0 0 0 0
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M END
PDB for NP0023423 (Teicoplanin product I)HEADER PROTEIN 04-JUL-21 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 04-JUL-21 0 HETATM 1 C UNK 0 14.668 -5.894 2.131 0.00 0.00 C+0 HETATM 2 C UNK 0 14.107 -7.253 2.468 0.00 0.00 C+0 HETATM 3 C UNK 0 12.748 -7.494 2.001 0.00 0.00 C+0 HETATM 4 C UNK 0 12.005 -6.643 1.332 0.00 0.00 C+0 HETATM 5 C UNK 0 10.599 -6.993 0.895 0.00 0.00 C+0 HETATM 6 C UNK 0 9.648 -6.013 1.528 0.00 0.00 C+0 HETATM 7 C UNK 0 10.113 -5.077 2.308 0.00 0.00 C+0 HETATM 8 C UNK 0 9.264 -4.081 2.969 0.00 0.00 C+0 HETATM 9 C UNK 0 7.827 -4.140 2.679 0.00 0.00 C+0 HETATM 10 C UNK 0 7.473 -3.858 1.237 0.00 0.00 C+0 HETATM 11 O UNK 0 8.380 -3.619 0.406 0.00 0.00 O+0 HETATM 12 N UNK 0 6.109 -3.884 0.942 0.00 0.00 N+0 HETATM 13 C UNK 0 5.545 -3.640 -0.352 0.00 0.00 C+0 HETATM 14 C UNK 0 5.155 -2.172 -0.483 0.00 0.00 C+0 HETATM 15 O UNK 0 4.744 -1.750 0.758 0.00 0.00 O+0 HETATM 16 C UNK 0 3.696 -0.967 1.141 0.00 0.00 C+0 HETATM 17 C UNK 0 3.817 0.421 1.108 0.00 0.00 C+0 HETATM 18 C UNK 0 2.811 1.234 1.518 0.00 0.00 C+0 HETATM 19 C UNK 0 1.548 0.774 1.989 0.00 0.00 C+0 HETATM 20 C UNK 0 1.470 -0.625 2.007 0.00 0.00 C+0 HETATM 21 C UNK 0 2.452 -1.460 1.609 0.00 0.00 C+0 HETATM 22 O UNK 0 2.439 -2.918 1.544 0.00 0.00 O+0 HETATM 23 C UNK 0 1.219 -3.440 0.901 0.00 0.00 C+0 HETATM 24 C UNK 0 0.206 -3.710 1.783 0.00 0.00 C+0 HETATM 25 C UNK 0 -1.083 -4.172 1.330 0.00 0.00 C+0 HETATM 26 C UNK 0 -1.292 -4.346 -0.008 0.00 0.00 C+0 HETATM 27 C UNK 0 -0.280 -4.093 -0.868 0.00 0.00 C+0 HETATM 28 C UNK 0 1.013 -3.628 -0.399 0.00 0.00 C+0 HETATM 29 Cl UNK 0 2.078 -3.480 -1.851 0.00 0.00 Cl+0 HETATM 30 C UNK 0 -2.745 -4.710 -0.476 0.00 0.00 C+0 HETATM 31 O UNK 0 -2.963 -4.811 -1.801 0.00 0.00 O+0 HETATM 32 C UNK 0 -2.675 -5.979 -2.437 0.00 0.00 C+0 HETATM 33 O UNK 0 -3.719 -6.987 -2.355 0.00 0.00 O+0 HETATM 34 C UNK 0 -3.081 -8.195 -2.528 0.00 0.00 C+0 HETATM 35 C UNK 0 -4.031 -9.326 -2.853 0.00 0.00 C+0 HETATM 36 O UNK 0 -4.946 -9.543 -1.817 0.00 0.00 O+0 HETATM 37 C UNK 0 -2.002 -8.196 -3.564 0.00 0.00 C+0 HETATM 38 O UNK 0 -0.744 -8.082 -2.960 0.00 0.00 O+0 HETATM 39 C UNK 0 -2.224 -7.130 -4.601 0.00 0.00 C+0 HETATM 40 O UNK 0 -3.355 -7.527 -5.339 0.00 0.00 O+0 HETATM 41 C UNK 0 -2.508 -5.829 -3.922 0.00 0.00 C+0 HETATM 42 N UNK 0 -1.595 -4.777 -4.223 0.00 0.00 N+0 HETATM 43 C UNK 0 -2.184 -3.523 -4.699 0.00 0.00 C+0 HETATM 44 C UNK 0 -1.303 -2.411 -4.992 0.00 0.00 C+0 HETATM 45 O UNK 0 -3.454 -3.490 -4.829 0.00 0.00 O+0 HETATM 46 C UNK 0 -3.674 -3.579 -0.056 0.00 0.00 C+0 HETATM 47 N UNK 0 -2.987 -2.297 -0.173 0.00 0.00 N+0 HETATM 48 C UNK 0 -2.255 -1.425 0.603 0.00 0.00 C+0 HETATM 49 O UNK 0 -1.044 -1.200 0.231 0.00 0.00 O+0 HETATM 50 C UNK 0 -2.623 -0.669 1.826 0.00 0.00 C+0 HETATM 51 N UNK 0 -2.009 0.655 1.754 0.00 0.00 N+0 HETATM 52 C UNK 0 -0.983 1.363 2.302 0.00 0.00 C+0 HETATM 53 O UNK 0 -1.369 1.955 3.466 0.00 0.00 O+0 HETATM 54 C UNK 0 0.393 1.733 2.107 0.00 0.00 C+0 HETATM 55 N UNK 0 0.769 2.966 2.801 0.00 0.00 N+0 HETATM 56 C UNK 0 0.625 4.290 2.443 0.00 0.00 C+0 HETATM 57 O UNK 0 -0.046 4.968 3.379 0.00 0.00 O+0 HETATM 58 C UNK 0 1.024 5.117 1.291 0.00 0.00 C+0 HETATM 59 N UNK 0 2.426 5.349 0.976 0.00 0.00 N+0 HETATM 60 C UNK 0 3.070 6.249 0.133 0.00 0.00 C+0 HETATM 61 O UNK 0 3.938 7.041 0.698 0.00 0.00 O+0 HETATM 62 C UNK 0 3.029 6.573 -1.332 0.00 0.00 C+0 HETATM 63 C UNK 0 4.174 5.858 -2.078 0.00 0.00 C+0 HETATM 64 C UNK 0 4.543 4.558 -1.462 0.00 0.00 C+0 HETATM 65 C UNK 0 4.037 3.374 -1.986 0.00 0.00 C+0 HETATM 66 C UNK 0 4.285 2.145 -1.298 0.00 0.00 C+0 HETATM 67 C UNK 0 4.979 2.084 -0.162 0.00 0.00 C+0 HETATM 68 C UNK 0 5.497 3.205 0.354 0.00 0.00 C+0 HETATM 69 Cl UNK 0 6.579 3.451 1.795 0.00 0.00 Cl+0 HETATM 70 C UNK 0 5.273 4.458 -0.306 0.00 0.00 C+0 HETATM 71 O UNK 0 5.115 0.806 0.545 0.00 0.00 O+0 HETATM 72 N UNK 0 3.166 8.002 -1.590 0.00 0.00 N+0 HETATM 73 C UNK 0 3.079 8.832 -2.695 0.00 0.00 C+0 HETATM 74 O UNK 0 4.242 9.142 -3.269 0.00 0.00 O+0 HETATM 75 C UNK 0 1.991 9.495 -3.416 0.00 0.00 C+0 HETATM 76 N UNK 0 2.447 10.817 -3.890 0.00 0.00 N+0 HETATM 77 C UNK 0 0.680 9.709 -2.706 0.00 0.00 C+0 HETATM 78 C UNK 0 -0.373 9.825 -3.647 0.00 0.00 C+0 HETATM 79 C UNK 0 -1.693 9.879 -3.290 0.00 0.00 C+0 HETATM 80 C UNK 0 -1.935 9.802 -1.933 0.00 0.00 C+0 HETATM 81 O UNK 0 -3.285 9.850 -1.518 0.00 0.00 O+0 HETATM 82 C UNK 0 -0.930 9.686 -1.009 0.00 0.00 C+0 HETATM 83 C UNK 0 0.394 9.652 -1.372 0.00 0.00 C+0 HETATM 84 O UNK 0 -1.378 9.556 0.385 0.00 0.00 O+0 HETATM 85 C UNK 0 -0.650 8.553 1.179 0.00 0.00 C+0 HETATM 86 C UNK 0 -0.230 9.000 2.410 0.00 0.00 C+0 HETATM 87 C UNK 0 0.525 8.212 3.258 0.00 0.00 C+0 HETATM 88 O UNK 0 0.922 8.700 4.467 0.00 0.00 O+0 HETATM 89 C UNK 0 0.819 6.956 2.783 0.00 0.00 C+0 HETATM 90 C UNK 0 0.379 6.488 1.524 0.00 0.00 C+0 HETATM 91 C UNK 0 -0.368 7.283 0.711 0.00 0.00 C+0 HETATM 92 C UNK 0 -4.133 -0.443 1.988 0.00 0.00 C+0 HETATM 93 C UNK 0 -4.395 -0.027 3.302 0.00 0.00 C+0 HETATM 94 C UNK 0 -5.643 0.264 3.776 0.00 0.00 C+0 HETATM 95 C UNK 0 -6.668 0.116 2.854 0.00 0.00 C+0 HETATM 96 O UNK 0 -7.986 0.403 3.283 0.00 0.00 O+0 HETATM 97 C UNK 0 -6.423 -0.303 1.541 0.00 0.00 C+0 HETATM 98 C UNK 0 -5.138 -0.582 1.094 0.00 0.00 C+0 HETATM 99 C UNK 0 -7.694 -0.486 0.808 0.00 0.00 C+0 HETATM 100 C UNK 0 -8.621 0.561 0.704 0.00 0.00 C+0 HETATM 101 O UNK 0 -8.336 1.744 1.314 0.00 0.00 O+0 HETATM 102 C UNK 0 -9.065 2.950 1.194 0.00 0.00 C+0 HETATM 103 O UNK 0 -10.186 2.981 1.998 0.00 0.00 O+0 HETATM 104 C UNK 0 -10.327 4.113 2.743 0.00 0.00 C+0 HETATM 105 C UNK 0 -11.447 4.006 3.759 0.00 0.00 C+0 HETATM 106 O UNK 0 -11.607 5.132 4.527 0.00 0.00 O+0 HETATM 107 C UNK 0 -9.036 4.542 3.406 0.00 0.00 C+0 HETATM 108 O UNK 0 -9.344 5.546 4.311 0.00 0.00 O+0 HETATM 109 C UNK 0 -8.173 5.076 2.285 0.00 0.00 C+0 HETATM 110 O UNK 0 -6.874 5.344 2.720 0.00 0.00 O+0 HETATM 111 C UNK 0 -8.264 4.191 1.099 0.00 0.00 C+0 HETATM 112 O UNK 0 -6.975 3.872 0.628 0.00 0.00 O+0 HETATM 113 C UNK 0 -9.777 0.404 0.007 0.00 0.00 C+0 HETATM 114 C UNK 0 -10.103 -0.796 -0.634 0.00 0.00 C+0 HETATM 115 O UNK 0 -11.295 -0.913 -1.333 0.00 0.00 O+0 HETATM 116 C UNK 0 -9.216 -1.836 -0.545 0.00 0.00 C+0 HETATM 117 C UNK 0 -8.067 -1.682 0.145 0.00 0.00 C+0 HETATM 118 C UNK 0 -7.150 -2.888 0.249 0.00 0.00 C+0 HETATM 119 C UNK 0 -8.079 -4.081 0.210 0.00 0.00 C+0 HETATM 120 O UNK 0 -7.865 -4.962 -0.636 0.00 0.00 O+0 HETATM 121 O UNK 0 -9.137 -4.170 1.105 0.00 0.00 O+0 HETATM 122 N UNK 0 -6.134 -2.925 -0.729 0.00 0.00 N+0 HETATM 123 C UNK 0 -4.912 -3.598 -0.865 0.00 0.00 C+0 HETATM 124 O UNK 0 -4.864 -4.381 -1.907 0.00 0.00 O+0 HETATM 125 O UNK 0 6.250 -1.386 -0.924 0.00 0.00 O+0 HETATM 126 C UNK 0 6.844 -1.787 -2.065 0.00 0.00 C+0 HETATM 127 C UNK 0 6.409 -0.827 -3.197 0.00 0.00 C+0 HETATM 128 O UNK 0 5.049 -0.864 -3.378 0.00 0.00 O+0 HETATM 129 C UNK 0 6.508 -3.157 -2.559 0.00 0.00 C+0 HETATM 130 O UNK 0 5.425 -3.177 -3.438 0.00 0.00 O+0 HETATM 131 C UNK 0 6.298 -4.188 -1.506 0.00 0.00 C+0 HETATM 132 O UNK 0 5.606 -5.273 -2.102 0.00 0.00 O+0 HETATM 133 H UNK 0 15.797 -5.975 2.157 0.00 0.00 H+0 HETATM 134 H UNK 0 14.375 -5.569 1.117 0.00 0.00 H+0 HETATM 135 H UNK 0 14.388 -5.171 2.929 0.00 0.00 H+0 HETATM 136 H UNK 0 14.217 -7.404 3.566 0.00 0.00 H+0 HETATM 137 H UNK 0 14.800 -8.010 2.010 0.00 0.00 H+0 HETATM 138 H UNK 0 12.271 -8.466 2.212 0.00 0.00 H+0 HETATM 139 H UNK 0 12.390 -5.669 1.075 0.00 0.00 H+0 HETATM 140 H UNK 0 10.335 -8.016 1.233 0.00 0.00 H+0 HETATM 141 H UNK 0 10.534 -6.874 -0.203 0.00 0.00 H+0 HETATM 142 H UNK 0 8.592 -6.123 1.326 0.00 0.00 H+0 HETATM 143 H UNK 0 11.195 -5.027 2.503 0.00 0.00 H+0 HETATM 144 H UNK 0 9.602 -3.033 2.683 0.00 0.00 H+0 HETATM 145 H UNK 0 9.389 -4.175 4.096 0.00 0.00 H+0 HETATM 146 H UNK 0 7.349 -5.126 2.963 0.00 0.00 H+0 HETATM 147 H UNK 0 7.294 -3.340 3.247 0.00 0.00 H+0 HETATM 148 H UNK 0 5.418 -4.108 1.708 0.00 0.00 H+0 HETATM 149 H UNK 0 4.547 -4.205 -0.366 0.00 0.00 H+0 HETATM 150 H UNK 0 4.400 -2.046 -1.245 0.00 0.00 H+0 HETATM 151 H UNK 0 3.149 2.326 1.619 0.00 0.00 H+0 HETATM 152 H UNK 0 0.574 -1.156 2.516 0.00 0.00 H+0 HETATM 153 H UNK 0 0.179 -3.684 2.889 0.00 0.00 H+0 HETATM 154 H UNK 0 -1.664 -4.317 2.281 0.00 0.00 H+0 HETATM 155 H UNK 0 -0.168 -4.180 -1.974 0.00 0.00 H+0 HETATM 156 H UNK 0 -2.895 -5.731 -0.105 0.00 0.00 H+0 HETATM 157 H UNK 0 -1.899 -6.508 -1.866 0.00 0.00 H+0 HETATM 158 H UNK 0 -2.599 -8.409 -1.513 0.00 0.00 H+0 HETATM 159 H UNK 0 -4.658 -9.107 -3.761 0.00 0.00 H+0 HETATM 160 H UNK 0 -3.442 -10.219 -3.091 0.00 0.00 H+0 HETATM 161 H UNK 0 -4.536 -10.063 -1.066 0.00 0.00 H+0 HETATM 162 H UNK 0 -1.995 -9.210 -4.105 0.00 0.00 H+0 HETATM 163 H UNK 0 -0.049 -7.807 -3.622 0.00 0.00 H+0 HETATM 164 H UNK 0 -1.363 -7.053 -5.307 0.00 0.00 H+0 HETATM 165 H UNK 0 -4.150 -6.931 -5.115 0.00 0.00 H+0 HETATM 166 H UNK 0 -3.555 -5.527 -4.315 0.00 0.00 H+0 HETATM 167 H UNK 0 -0.564 -4.808 -4.154 0.00 0.00 H+0 HETATM 168 H UNK 0 -1.147 -2.328 -6.084 0.00 0.00 H+0 HETATM 169 H UNK 0 -0.339 -2.536 -4.427 0.00 0.00 H+0 HETATM 170 H UNK 0 -1.805 -1.466 -4.669 0.00 0.00 H+0 HETATM 171 H UNK 0 -3.967 -3.818 0.971 0.00 0.00 H+0 HETATM 172 H UNK 0 -3.104 -1.953 -1.202 0.00 0.00 H+0 HETATM 173 H UNK 0 -2.333 -1.296 2.655 0.00 0.00 H+0 HETATM 174 H UNK 0 -2.689 1.157 1.027 0.00 0.00 H+0 HETATM 175 H UNK 0 0.233 2.222 1.051 0.00 0.00 H+0 HETATM 176 H UNK 0 1.241 2.776 3.741 0.00 0.00 H+0 HETATM 177 H UNK 0 0.633 4.499 0.475 0.00 0.00 H+0 HETATM 178 H UNK 0 3.081 4.708 1.543 0.00 0.00 H+0 HETATM 179 H UNK 0 2.111 6.260 -1.833 0.00 0.00 H+0 HETATM 180 H UNK 0 4.974 6.644 -2.176 0.00 0.00 H+0 HETATM 181 H UNK 0 3.900 5.851 -3.170 0.00 0.00 H+0 HETATM 182 H UNK 0 3.430 3.136 -2.901 0.00 0.00 H+0 HETATM 183 H UNK 0 3.835 1.304 -1.938 0.00 0.00 H+0 HETATM 184 H UNK 0 5.823 5.236 0.308 0.00 0.00 H+0 HETATM 185 H UNK 0 3.447 8.520 -0.664 0.00 0.00 H+0 HETATM 186 H UNK 0 1.845 8.887 -4.343 0.00 0.00 H+0 HETATM 187 H UNK 0 3.247 11.086 -3.280 0.00 0.00 H+0 HETATM 188 H UNK 0 2.828 10.717 -4.835 0.00 0.00 H+0 HETATM 189 H UNK 0 -0.154 9.867 -4.726 0.00 0.00 H+0 HETATM 190 H UNK 0 -2.488 9.979 -4.005 0.00 0.00 H+0 HETATM 191 H UNK 0 -4.010 9.932 -2.201 0.00 0.00 H+0 HETATM 192 H UNK 0 1.258 9.713 -0.609 0.00 0.00 H+0 HETATM 193 H UNK 0 -0.491 10.009 2.790 0.00 0.00 H+0 HETATM 194 H UNK 0 0.720 9.612 4.820 0.00 0.00 H+0 HETATM 195 H UNK 0 1.463 6.395 3.446 0.00 0.00 H+0 HETATM 196 H UNK 0 -0.794 6.870 -0.273 0.00 0.00 H+0 HETATM 197 H UNK 0 -3.542 0.078 4.013 0.00 0.00 H+0 HETATM 198 H UNK 0 -5.856 0.594 4.777 0.00 0.00 H+0 HETATM 199 H UNK 0 -8.146 0.691 4.219 0.00 0.00 H+0 HETATM 200 H UNK 0 -4.910 -0.808 -0.011 0.00 0.00 H+0 HETATM 201 H UNK 0 -9.538 2.799 0.149 0.00 0.00 H+0 HETATM 202 H UNK 0 -10.602 4.959 2.056 0.00 0.00 H+0 HETATM 203 H UNK 0 -12.400 3.811 3.181 0.00 0.00 H+0 HETATM 204 H UNK 0 -11.320 3.119 4.414 0.00 0.00 H+0 HETATM 205 H UNK 0 -12.547 5.323 4.787 0.00 0.00 H+0 HETATM 206 H UNK 0 -8.551 3.716 3.947 0.00 0.00 H+0 HETATM 207 H UNK 0 -9.196 5.288 5.262 0.00 0.00 H+0 HETATM 208 H UNK 0 -8.616 6.108 2.075 0.00 0.00 H+0 HETATM 209 H UNK 0 -6.755 4.965 3.652 0.00 0.00 H+0 HETATM 210 H UNK 0 -8.690 4.830 0.252 0.00 0.00 H+0 HETATM 211 H UNK 0 -6.287 4.138 1.291 0.00 0.00 H+0 HETATM 212 H UNK 0 -10.560 1.165 -0.117 0.00 0.00 H+0 HETATM 213 H UNK 0 -11.576 -1.755 -1.810 0.00 0.00 H+0 HETATM 214 H UNK 0 -9.472 -2.767 -1.059 0.00 0.00 H+0 HETATM 215 H UNK 0 -6.800 -2.894 1.301 0.00 0.00 H+0 HETATM 216 H UNK 0 -9.351 -3.386 1.712 0.00 0.00 H+0 HETATM 217 H UNK 0 -6.374 -2.294 -1.584 0.00 0.00 H+0 HETATM 218 H UNK 0 7.968 -1.651 -2.060 0.00 0.00 H+0 HETATM 219 H UNK 0 6.805 0.176 -3.022 0.00 0.00 H+0 HETATM 220 H UNK 0 6.889 -1.266 -4.123 0.00 0.00 H+0 HETATM 221 H UNK 0 4.668 -0.010 -3.684 0.00 0.00 H+0 HETATM 222 H UNK 0 7.403 -3.487 -3.183 0.00 0.00 H+0 HETATM 223 H UNK 0 5.670 -3.591 -4.311 0.00 0.00 H+0 HETATM 224 H UNK 0 7.256 -4.647 -1.196 0.00 0.00 H+0 HETATM 225 H UNK 0 5.458 -6.005 -1.436 0.00 0.00 H+0 CONECT 1 2 133 134 135 CONECT 2 1 3 136 137 CONECT 3 2 4 138 CONECT 4 3 5 139 CONECT 5 4 6 140 141 CONECT 6 5 7 142 CONECT 7 6 8 143 CONECT 8 7 9 144 145 CONECT 9 8 10 146 147 CONECT 10 9 11 12 CONECT 11 10 CONECT 12 10 13 148 CONECT 13 12 14 131 149 CONECT 14 13 15 125 150 CONECT 15 14 16 CONECT 16 15 17 21 CONECT 17 16 18 71 CONECT 18 17 19 151 CONECT 19 18 20 54 CONECT 20 19 21 152 CONECT 21 20 22 16 CONECT 22 21 23 CONECT 23 22 24 28 CONECT 24 23 25 153 CONECT 25 24 26 154 CONECT 26 25 27 30 CONECT 27 26 28 155 CONECT 28 27 29 23 CONECT 29 28 CONECT 30 26 31 46 156 CONECT 31 30 32 CONECT 32 31 33 41 157 CONECT 33 32 34 CONECT 34 33 35 37 158 CONECT 35 34 36 159 160 CONECT 36 35 161 CONECT 37 34 38 39 162 CONECT 38 37 163 CONECT 39 37 40 41 164 CONECT 40 39 165 CONECT 41 39 42 32 166 CONECT 42 41 43 167 CONECT 43 42 44 45 CONECT 44 43 168 169 170 CONECT 45 43 CONECT 46 30 47 123 171 CONECT 47 46 48 172 CONECT 48 47 49 50 CONECT 49 48 CONECT 50 48 51 92 173 CONECT 51 50 52 174 CONECT 52 51 53 54 CONECT 53 52 CONECT 54 52 55 19 175 CONECT 55 54 56 176 CONECT 56 55 57 58 CONECT 57 56 CONECT 58 56 59 90 177 CONECT 59 58 60 178 CONECT 60 59 61 62 CONECT 61 60 CONECT 62 60 63 72 179 CONECT 63 62 64 180 181 CONECT 64 63 65 70 CONECT 65 64 66 182 CONECT 66 65 67 183 CONECT 67 66 68 71 CONECT 68 67 69 70 CONECT 69 68 CONECT 70 68 64 184 CONECT 71 67 17 CONECT 72 62 73 185 CONECT 73 72 74 75 CONECT 74 73 CONECT 75 73 76 77 186 CONECT 76 75 187 188 CONECT 77 75 78 83 CONECT 78 77 79 189 CONECT 79 78 80 190 CONECT 80 79 81 82 CONECT 81 80 191 CONECT 82 80 83 84 CONECT 83 82 77 192 CONECT 84 82 85 CONECT 85 84 86 91 CONECT 86 85 87 193 CONECT 87 86 88 89 CONECT 88 87 194 CONECT 89 87 90 195 CONECT 90 89 91 58 CONECT 91 90 85 196 CONECT 92 50 93 98 CONECT 93 92 94 197 CONECT 94 93 95 198 CONECT 95 94 96 97 CONECT 96 95 199 CONECT 97 95 98 99 CONECT 98 97 92 200 CONECT 99 97 100 117 CONECT 100 99 101 113 CONECT 101 100 102 CONECT 102 101 103 111 201 CONECT 103 102 104 CONECT 104 103 105 107 202 CONECT 105 104 106 203 204 CONECT 106 105 205 CONECT 107 104 108 109 206 CONECT 108 107 207 CONECT 109 107 110 111 208 CONECT 110 109 209 CONECT 111 109 112 102 210 CONECT 112 111 211 CONECT 113 100 114 212 CONECT 114 113 115 116 CONECT 115 114 213 CONECT 116 114 117 214 CONECT 117 116 118 99 CONECT 118 117 119 122 215 CONECT 119 118 120 121 CONECT 120 119 CONECT 121 119 216 CONECT 122 118 123 217 CONECT 123 122 124 46 CONECT 124 123 CONECT 125 14 126 CONECT 126 125 127 129 218 CONECT 127 126 128 219 220 CONECT 128 127 221 CONECT 129 126 130 131 222 CONECT 130 129 223 CONECT 131 129 132 13 224 CONECT 132 131 225 CONECT 133 1 CONECT 134 1 CONECT 135 1 CONECT 136 2 CONECT 137 2 CONECT 138 3 CONECT 139 4 CONECT 140 5 CONECT 141 5 CONECT 142 6 CONECT 143 7 CONECT 144 8 CONECT 145 8 CONECT 146 9 CONECT 147 9 CONECT 148 12 CONECT 149 13 CONECT 150 14 CONECT 151 18 CONECT 152 20 CONECT 153 24 CONECT 154 25 CONECT 155 27 CONECT 156 30 CONECT 157 32 CONECT 158 34 CONECT 159 35 CONECT 160 35 CONECT 161 36 CONECT 162 37 CONECT 163 38 CONECT 164 39 CONECT 165 40 CONECT 166 41 CONECT 167 42 CONECT 168 44 CONECT 169 44 CONECT 170 44 CONECT 171 46 CONECT 172 47 CONECT 173 50 CONECT 174 51 CONECT 175 54 CONECT 176 55 CONECT 177 58 CONECT 178 59 CONECT 179 62 CONECT 180 63 CONECT 181 63 CONECT 182 65 CONECT 183 66 CONECT 184 70 CONECT 185 72 CONECT 186 75 CONECT 187 76 CONECT 188 76 CONECT 189 78 CONECT 190 79 CONECT 191 81 CONECT 192 83 CONECT 193 86 CONECT 194 88 CONECT 195 89 CONECT 196 91 CONECT 197 93 CONECT 198 94 CONECT 199 96 CONECT 200 98 CONECT 201 102 CONECT 202 104 CONECT 203 105 CONECT 204 105 CONECT 205 106 CONECT 206 107 CONECT 207 108 CONECT 208 109 CONECT 209 110 CONECT 210 111 CONECT 211 112 CONECT 212 113 CONECT 213 115 CONECT 214 116 CONECT 215 118 CONECT 216 121 CONECT 217 122 CONECT 218 126 CONECT 219 127 CONECT 220 127 CONECT 221 128 CONECT 222 129 CONECT 223 130 CONECT 224 131 CONECT 225 132 MASTER 0 0 0 0 0 0 0 0 225 0 476 0 END SMILES for NP0023423 (Teicoplanin product I)[H]OC(=O)[C@@]1([H])N([H])C(=O)[C@]2([H])N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]3([H])N([H])C(=O)[C@]4([H])N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])[H])C5=C([H])C([H])=C(O[H])C(OC6=C([H])C(O[H])=C([H])C4=C6[H])=C5[H])C([H])([H])C4=C([H])C([H])=C(OC5=C([H])C3=C([H])C(OC3=C([H])C([H])=C(C([H])=C3Cl)[C@]2([H])O[C@@]2([H])O[C@@]([H])(C([H])([H])O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]2([H])N([H])C(=O)C([H])([H])[H])=C5O[C@@]2([H])O[C@]([H])(C([H])([H])O[H])[C@]([H])(O[H])[C@]([H])(O[H])[C@@]2([H])N([H])C(=O)C([H])([H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C([H])([H])[H])C(Cl)=C4[H])C2=C([H])C([H])=C(O[H])C(=C2[H])C2=C(O[C@@]3([H])O[C@@]([H])(C([H])([H])O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@@]3([H])O[H])C([H])=C(O[H])C([H])=C12 INCHI for NP0023423 (Teicoplanin product I)InChI=1S/C88H93Cl2N9O33/c1-3-4-5-6-7-8-9-10-60(108)94-68-74(113)71(110)58(32-101)129-87(68)132-78-55-26-40-27-56(78)126-52-18-14-38(24-47(52)90)77(131-86-67(92-34(2)103)73(112)70(109)57(31-100)128-86)69-84(121)98-66(85(122)123)45-29-42(105)30-54(127-88-76(115)75(114)72(111)59(33-102)130-88)61(45)44-23-37(13-15-49(44)106)63(81(118)99-69)96-83(120)65(40)97-82(119)64-39-21-41(104)28-43(22-39)124-53-25-36(12-16-50(53)107)62(91)80(117)93-48(79(116)95-64)20-35-11-17-51(125-55)46(89)19-35/h4-5,7-8,11-19,21-30,48,57-59,62-77,86-88,100-102,104-107,109-115H,3,6,9-10,20,31-33,91H2,1-2H3,(H,92,103)(H,93,117)(H,94,108)(H,95,116)(H,96,120)(H,97,119)(H,98,121)(H,99,118)(H,122,123)/b5-4+,8-7+/t48-,57-,58+,59-,62+,63-,64+,65-,66-,67-,68+,69+,70-,71-,72-,73-,74+,75+,76+,77-,86+,87+,88-/m0/s1 3D Structure for NP0023423 (Teicoplanin product I) | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Synonyms |
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| Chemical Formula | C88H93Cl2N9O33 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Average Mass | 1875.6400 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Monoisotopic Mass | 1873.52528 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| IUPAC Name | (1R,2S,19S,22R,34R,40S,52S)-22-amino-63,65-dichloro-64-{[(2R,3R,4R,5R,6R)-3-[(4E,7E)-deca-4,7-dienamido]-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-{[(2S,3S,4S,5R,6S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-26,31,44,49-tetrahydroxy-21,35,38,54,56,59-hexaoxo-47-{[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-7,13,28-trioxa-20,36,39,53,55,58-hexaazaundecacyclo[38.14.2.2^{3,6}.2^{14,17}.2^{19,34}.1^{8,12}.1^{23,27}.1^{29,33}.1^{41,45}.0^{10,37}.0^{46,51}]hexahexaconta-3,5,8(64),9,11,14,16,23,25,27(61),29,31,33(60),41,43,45(57),46,48,50,62,65-henicosaene-52-carboxylic acid | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Traditional Name | (1R,2S,19S,22R,34R,40S,52S)-22-amino-63,65-dichloro-64-{[(2R,3R,4R,5R,6R)-3-[(4E,7E)-deca-4,7-dienamido]-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-{[(2S,3S,4S,5R,6S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-26,31,44,49-tetrahydroxy-21,35,38,54,56,59-hexaoxo-47-{[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-7,13,28-trioxa-20,36,39,53,55,58-hexaazaundecacyclo[38.14.2.2^{3,6}.2^{14,17}.2^{19,34}.1^{8,12}.1^{23,27}.1^{29,33}.1^{41,45}.0^{10,37}.0^{46,51}]hexahexaconta-3,5,8(64),9,11,14,16,23,25,27(61),29,31,33(60),41,43,45(57),46,48,50,62,65-henicosaene-52-carboxylic acid | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| CAS Registry Number | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| SMILES | CC\C=C\C\C=C\CCC(=O)NC1C(O)C(O)C(CO)OC1OC1=C2OC3=C(Cl)C=C(C=C3)C(OC3OC(CO)C(O)C(O)C3NC(C)=O)C3NC(=O)C(NC(=O)C4NC(=O)C5NC(=O)C(CC6=CC(Cl)=C(OC1=CC4=C2)C=C6)NC(=O)C(N)C1=CC(OC2=CC(O)=CC5=C2)=C(O)C=C1)C1=CC(=C(O)C=C1)C1=C(OC2OC(CO)C(O)C(O)C2O)C=C(O)C=C1C(NC3=O)C(O)=O | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Identifier | InChI=1S/C88H93Cl2N9O33/c1-3-4-5-6-7-8-9-10-60(108)94-68-74(113)71(110)58(32-101)129-87(68)132-78-55-26-40-27-56(78)126-52-18-14-38(24-47(52)90)77(131-86-67(92-34(2)103)73(112)70(109)57(31-100)128-86)69-84(121)98-66(85(122)123)45-29-42(105)30-54(127-88-76(115)75(114)72(111)59(33-102)130-88)61(45)44-23-37(13-15-49(44)106)63(81(118)99-69)96-83(120)65(40)97-82(119)64-39-21-41(104)28-43(22-39)124-53-25-36(12-16-50(53)107)62(91)80(117)93-48(79(116)95-64)20-35-11-17-51(125-55)46(89)19-35/h4-5,7-8,11-19,21-30,48,57-59,62-77,86-88,100-102,104-107,109-115H,3,6,9-10,20,31-33,91H2,1-2H3,(H,92,103)(H,93,117)(H,94,108)(H,95,116)(H,96,120)(H,97,119)(H,98,121)(H,99,118)(H,122,123)/b5-4+,8-7+ | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Key | QUDLVMPJKSJEDL-AOSYACOCSA-N | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Experimental Spectra | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Predicted Spectra | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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| Chemical Shift Submissions | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Species | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Species of Origin |
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| Chemical Taxonomy | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Description | Belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds. | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Kingdom | Organic compounds | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Super Class | Organic acids and derivatives | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Class | Carboxylic acids and derivatives | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Sub Class | Amino acids, peptides, and analogues | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Direct Parent | Oligopeptides | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Alternative Parents |
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| Substituents |
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| Molecular Framework | Aromatic heteropolycyclic compounds | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| External Descriptors | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Physical Properties | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| State | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Experimental Properties |
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| Predicted Properties |
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| External Links | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| NPAtlas ID | NPA004669 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| HMDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| DrugBank ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Phenol Explorer Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| FoodDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| KNApSAcK ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemspider ID | 78444485 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| KEGG Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| BioCyc ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| BiGG ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Wikipedia Link | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| METLIN ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| PubChem Compound | 139584396 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| PDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| ChEBI ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Good Scents ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| References | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| General References |
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