Showing NP-Card for (Mannosyl)8-(N-acetylglucosaminyl)2-diphosphodolichol (NP0091932)
| Record Information | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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| Version | 1.0 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Created at | 2022-05-11 18:52:24 UTC | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Updated at | 2022-05-11 18:52:24 UTC | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| NP-MRD ID | NP0091932 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Secondary Accession Numbers | None | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Natural Product Identification | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Common Name | (Mannosyl)8-(N-acetylglucosaminyl)2-diphosphodolichol | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Description | (Mannosyl)8-(N-acetylglucosaminyl)2-diphosphodolichol belongs to the class of organic compounds known as polyprenyl phospho carbohydrates. These are polyprenyl phosphates with a carbohydrate moiety attached to it (Mannosyl)8-(N-acetylglucosaminyl)2-diphosphodolichol is an extremely weak basic (essentially neutral) compound (based on its pKa) (Mannosyl)8-(N-acetylglucosaminyl)2-diphosphodolichol exists in all eukaryotes, ranging from yeast to humans. Man8GlcNAc2-Dol is an intermediate in dolichyl-diphosphooligosaccaride biosynthesis pathway and synthesis of N-glycans. It was first documented in 2000 (PMID: 11413487). In this pathway, (Mannosyl)8-(N-acetylglucosaminyl)2-diphosphodolichol is formed from (Mannosyl)7-(N-acetylglucosaminyl)2-diphosphodolichol via reaction with Dolichyl β-D-mannosyl phosphate (PMID: 16902246) (PMID: 17374880) (PMID: 20044567). | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Structure |  MOL for NP0091932 ((Mannosyl)8-(N-acetylglucosaminyl)2-diphosphodolichol)
Mrv0541 02241203442D
205214 0 0 1 0 999 V2000
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189188 2 0 0 0 0
190189 1 0 0 0 0
191190 1 0 0 0 0
192188 1 0 0 0 0
182191 1 0 0 0 0
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196195 1 0 0 0 0
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198181 2 0 0 0 0
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200199 1 0 0 0 0
201181 1 0 0 0 0
193200 1 0 0 0 0
202187 2 0 0 0 0
203202 1 0 0 0 0
204203 1 0 0 0 0
205187 1 0 0 0 0
91204 1 0 0 0 0
M END
3D SDF for NP0091932 ((Mannosyl)8-(N-acetylglucosaminyl)2-diphosphodolichol)
Mrv0541 02241203442D
205214 0 0 1 0 999 V2000
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91204 1 0 0 0 0
M END
> <DATABASE_ID>
NP0091932
> <DATABASE_NAME>
NP-MRD
> <SMILES>
OC[C@H]1O[C@H](OC[C@H]2O[C@H](OC[C@H]3O[C@@H](O[C@H]4[C@H](O)[C@@H](NC(C)=O)[C@@H](O[C@@H]4CO)O[C@H]4[C@H](O)[C@@H](NC(C)=O)[C@@H](O[C@@H]4CO)OP(=O)(O)OP(=O)(O)OCCC(C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)[C@@H](O)[C@@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@@H]3O)[C@@H](O)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O
> <INCHI_IDENTIFIER>
InChI=1S/C144H240N2O57P2/c1-77(2)35-20-36-78(3)37-21-38-79(4)39-22-40-80(5)41-23-42-81(6)43-24-44-82(7)45-25-46-83(8)47-26-48-84(9)49-27-50-85(10)51-28-52-86(11)53-29-54-87(12)55-30-56-88(13)57-31-58-89(14)59-32-60-90(15)61-33-62-91(16)63-34-64-92(17)65-66-184-204(178,179)203-205(180,181)202-136-106(146-94(19)156)116(166)128(102(74-154)192-136)195-135-105(145-93(18)155)115(165)129(101(73-153)191-135)196-141-127(177)131(198-143-134(122(172)112(162)99(71-151)189-143)201-144-133(121(171)111(161)100(72-152)190-144)200-140-125(175)119(169)109(159)97(69-149)187-140)114(164)104(194-141)76-183-138-126(176)130(113(163)103(193-138)75-182-137-123(173)117(167)107(157)95(67-147)185-137)197-142-132(120(170)110(160)98(70-150)188-142)199-139-124(174)118(168)108(158)96(68-148)186-139/h35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,92,95-144,147-154,157-177H,20-34,36,38,40,42,44,46,48,50,52,54,56,58,60,62,64-76H2,1-19H3,(H,145,155)(H,146,156)(H,178,179)(H,180,181)/b78-37+,79-39+,80-41+,81-43+,82-45+,83-47+,84-49+,85-51+,86-53+,87-55+,88-57+,89-59+,90-61+,91-63+/t92?,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117+,118+,119+,120+,121+,122+,123+,124+,125+,126+,127+,128-,129-,130+,131+,132+,133+,134+,135+,136+,137+,138+,139-,140-,141+,142-,143-,144-/m1/s1
> <INCHI_KEY>
YRUUGXZUKTWFST-JNAUNXQKSA-N
> <FORMULA>
C144H240N2O57P2
> <MOLECULAR_WEIGHT>
2973.3731
> <EXACT_MASS>
2971.541812168
> <JCHEM_ACCEPTOR_COUNT>
54
> <JCHEM_AVERAGE_POLARIZABILITY>
323.00524737554935
> <JCHEM_BIOAVAILABILITY>
0
> <JCHEM_DONOR_COUNT>
33
> <JCHEM_FORMAL_CHARGE>
0
> <JCHEM_GHOSE_FILTER>
0
> <JCHEM_IUPAC>
{[(2S,3R,4R,5S,6R)-5-{[(2S,3R,4R,5S,6R)-5-{[(2S,3S,4S,5R,6R)-6-({[(2S,3S,4S,5R,6R)-4-{[(2R,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3,5-dihydroxy-6-({[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}methyl)-4-{[(2R,3S,4S,5S,6R)-3-{[(2R,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,5-dihydroxyoxan-2-yl]oxy}-3-acetamido-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-acetamido-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}[({[(6E,10E,14E,18E,22E,26E,30E,34E,38E,42E,46E,50E,54E,58E)-3,7,11,15,19,23,27,31,35,39,43,47,51,55,59,63-hexadecamethyltetrahexaconta-6,10,14,18,22,26,30,34,38,42,46,50,54,58,62-pentadecaen-1-yl]oxy}(hydroxy)phosphoryl)oxy]phosphinic acid
> <ALOGPS_LOGP>
3.87
> <JCHEM_LOGP>
6.893098032000005
> <ALOGPS_LOGS>
-5.17
> <JCHEM_MDDR_LIKE_RULE>
1
> <JCHEM_NUMBER_OF_RINGS>
10
> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2
> <JCHEM_PKA>
3.171781736375694
> <JCHEM_PKA_STRONGEST_ACIDIC>
1.7444953207602145
> <JCHEM_PKA_STRONGEST_BASIC>
-3.9477717037497753
> <JCHEM_POLAR_SURFACE_AREA>
922.5300000000007
> <JCHEM_REFRACTIVITY>
751.5350000000007
> <JCHEM_ROTATABLE_BOND_COUNT>
83
> <JCHEM_RULE_OF_FIVE>
0
> <ALOGPS_SOLUBILITY>
2.02e-02 g/l
> <JCHEM_TRADITIONAL_IUPAC>
[(2S,3R,4R,5S,6R)-5-{[(2S,3R,4R,5S,6R)-5-{[(2S,3S,4S,5R,6R)-6-({[(2S,3S,4S,5R,6R)-4-{[(2R,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3,5-dihydroxy-6-({[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}methyl)-4-{[(2R,3S,4S,5S,6R)-3-{[(2R,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,5-dihydroxyoxan-2-yl]oxy}-3-acetamido-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-acetamido-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy({[(6E,10E,14E,18E,22E,26E,30E,34E,38E,42E,46E,50E,54E,58E)-3,7,11,15,19,23,27,31,35,39,43,47,51,55,59,63-hexadecamethyltetrahexaconta-6,10,14,18,22,26,30,34,38,42,46,50,54,58,62-pentadecaen-1-yl]oxy(hydroxy)phosphoryl}oxy)phosphinic acid
> <JCHEM_VEBER_RULE>
0
$$$$
PDB for NP0091932 ((Mannosyl)8-(N-acetylglucosaminyl)2-diphosphodolichol)HEADER PROTEIN 24-FEB-12 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 24-FEB-12 0 HETATM 1 O UNK 0 24.710 -13.378 0.000 0.00 0.00 O+0 HETATM 2 O UNK 0 27.387 -16.449 0.000 0.00 0.00 O+0 HETATM 3 C UNK 0 26.051 -15.684 0.000 0.00 0.00 C+0 HETATM 4 C UNK 0 28.718 -15.675 0.000 0.00 0.00 C+0 HETATM 5 C UNK 0 26.046 -14.143 0.000 0.00 0.00 C+0 HETATM 6 C UNK 0 28.713 -14.135 0.000 0.00 0.00 C+0 HETATM 7 C UNK 0 27.377 -13.369 0.000 0.00 0.00 C+0 HETATM 8 C UNK 0 30.054 -16.441 0.000 0.00 0.00 C+0 HETATM 9 O UNK 0 30.059 -17.981 0.000 0.00 0.00 O+0 HETATM 10 O UNK 0 30.044 -13.361 0.000 0.00 0.00 O+0 HETATM 11 O UNK 0 27.372 -11.829 0.000 0.00 0.00 O+0 HETATM 12 O UNK 0 24.719 -16.458 0.000 0.00 0.00 O+0 HETATM 13 O UNK 0 24.720 -19.538 0.000 0.00 0.00 O+0 HETATM 14 C UNK 0 24.720 -21.078 0.000 0.00 0.00 C+0 HETATM 15 C UNK 0 23.386 -18.768 0.000 0.00 0.00 C+0 HETATM 16 C UNK 0 23.386 -21.848 0.000 0.00 0.00 C+0 HETATM 17 C UNK 0 22.052 -19.538 0.000 0.00 0.00 C+0 HETATM 18 C UNK 0 22.052 -21.078 0.000 0.00 0.00 C+0 HETATM 19 C UNK 0 23.386 -17.228 0.000 0.00 0.00 C+0 HETATM 20 O UNK 0 20.718 -18.768 0.000 0.00 0.00 O+0 HETATM 21 O UNK 0 20.718 -21.848 0.000 0.00 0.00 O+0 HETATM 22 O UNK 0 23.386 -23.388 0.000 0.00 0.00 O+0 HETATM 23 O UNK 0 26.053 -21.848 0.000 0.00 0.00 O+0 HETATM 24 O UNK 0 19.385 -19.538 0.000 0.00 0.00 O+0 HETATM 25 C UNK 0 19.385 -21.078 0.000 0.00 0.00 C+0 HETATM 26 C UNK 0 18.051 -18.768 0.000 0.00 0.00 C+0 HETATM 27 C UNK 0 18.051 -21.848 0.000 0.00 0.00 C+0 HETATM 28 C UNK 0 16.717 -19.538 0.000 0.00 0.00 C+0 HETATM 29 C UNK 0 16.717 -21.078 0.000 0.00 0.00 C+0 HETATM 30 C UNK 0 18.051 -17.228 0.000 0.00 0.00 C+0 HETATM 31 O UNK 0 19.384 -16.458 0.000 0.00 0.00 O+0 HETATM 32 O UNK 0 15.384 -18.768 0.000 0.00 0.00 O+0 HETATM 33 O UNK 0 15.384 -21.848 0.000 0.00 0.00 O+0 HETATM 34 O UNK 0 18.051 -23.388 0.000 0.00 0.00 O+0 HETATM 35 O UNK 0 15.384 -23.392 0.000 0.00 0.00 O+0 HETATM 36 C UNK 0 16.718 -24.160 0.000 0.00 0.00 C+0 HETATM 37 C UNK 0 14.051 -24.164 0.000 0.00 0.00 C+0 HETATM 38 C UNK 0 16.721 -25.700 0.000 0.00 0.00 C+0 HETATM 39 C UNK 0 14.054 -25.704 0.000 0.00 0.00 C+0 HETATM 40 C UNK 0 15.388 -26.472 0.000 0.00 0.00 C+0 HETATM 41 C UNK 0 12.716 -23.396 0.000 0.00 0.00 C+0 HETATM 42 O UNK 0 12.713 -21.856 0.000 0.00 0.00 O+0 HETATM 43 O UNK 0 12.721 -26.476 0.000 0.00 0.00 O+0 HETATM 44 O UNK 0 15.391 -28.012 0.000 0.00 0.00 O+0 HETATM 45 O UNK 0 18.056 -26.468 0.000 0.00 0.00 O+0 HETATM 46 O UNK 0 28.723 -23.383 0.000 0.00 0.00 O+0 HETATM 47 C UNK 0 30.058 -24.150 0.000 0.00 0.00 C+0 HETATM 48 C UNK 0 27.391 -24.155 0.000 0.00 0.00 C+0 HETATM 49 C UNK 0 30.061 -25.690 0.000 0.00 0.00 C+0 HETATM 50 C UNK 0 27.394 -25.695 0.000 0.00 0.00 C+0 HETATM 51 C UNK 0 28.729 -26.463 0.000 0.00 0.00 C+0 HETATM 52 C UNK 0 26.056 -23.388 0.000 0.00 0.00 C+0 HETATM 53 O UNK 0 26.061 -26.468 0.000 0.00 0.00 O+0 HETATM 54 O UNK 0 28.732 -28.003 0.000 0.00 0.00 O+0 HETATM 55 O UNK 0 31.396 -26.458 0.000 0.00 0.00 O+0 HETATM 56 O UNK 0 31.391 -23.378 0.000 0.00 0.00 O+0 HETATM 57 O UNK 0 26.064 -28.010 0.000 0.00 0.00 O+0 HETATM 58 C UNK 0 27.400 -28.776 0.000 0.00 0.00 C+0 HETATM 59 C UNK 0 24.733 -28.783 0.000 0.00 0.00 C+0 HETATM 60 C UNK 0 27.404 -30.316 0.000 0.00 0.00 C+0 HETATM 61 C UNK 0 24.737 -30.323 0.000 0.00 0.00 C+0 HETATM 62 C UNK 0 26.072 -31.090 0.000 0.00 0.00 C+0 HETATM 63 C UNK 0 23.397 -28.017 0.000 0.00 0.00 C+0 HETATM 64 O UNK 0 23.393 -26.477 0.000 0.00 0.00 O+0 HETATM 65 O UNK 0 23.405 -31.096 0.000 0.00 0.00 O+0 HETATM 66 O UNK 0 26.076 -32.630 0.000 0.00 0.00 O+0 HETATM 67 O UNK 0 28.739 -31.083 0.000 0.00 0.00 O+0 HETATM 68 O UNK 0 27.396 -33.387 0.000 0.00 0.00 O+0 HETATM 69 C UNK 0 28.733 -32.623 0.000 0.00 0.00 C+0 HETATM 70 C UNK 0 27.390 -34.927 0.000 0.00 0.00 C+0 HETATM 71 C UNK 0 30.063 -33.398 0.000 0.00 0.00 C+0 HETATM 72 C UNK 0 28.720 -35.703 0.000 0.00 0.00 C+0 HETATM 73 C UNK 0 30.057 -34.938 0.000 0.00 0.00 C+0 HETATM 74 C UNK 0 26.053 -35.692 0.000 0.00 0.00 C+0 HETATM 75 O UNK 0 24.723 -34.916 0.000 0.00 0.00 O+0 HETATM 76 O UNK 0 28.714 -37.243 0.000 0.00 0.00 O+0 HETATM 77 O UNK 0 31.388 -35.714 0.000 0.00 0.00 O+0 HETATM 78 O UNK 0 31.400 -32.634 0.000 0.00 0.00 O+0 HETATM 79 O UNK 0 32.745 -34.937 0.000 0.00 0.00 O+0 HETATM 80 C UNK 0 32.738 -33.397 0.000 0.00 0.00 C+0 HETATM 81 C UNK 0 34.083 -35.701 0.000 0.00 0.00 C+0 HETATM 82 C UNK 0 34.068 -32.621 0.000 0.00 0.00 C+0 HETATM 83 C UNK 0 35.413 -34.924 0.000 0.00 0.00 C+0 HETATM 84 C UNK 0 35.405 -33.384 0.000 0.00 0.00 C+0 HETATM 85 C UNK 0 34.091 -37.241 0.000 0.00 0.00 C+0 HETATM 86 O UNK 0 32.761 -38.017 0.000 0.00 0.00 O+0 HETATM 87 O UNK 0 36.750 -35.688 0.000 0.00 0.00 O+0 HETATM 88 O UNK 0 36.735 -32.608 0.000 0.00 0.00 O+0 HETATM 89 O UNK 0 34.060 -31.081 0.000 0.00 0.00 O+0 HETATM 90 C UNK 0 49.554 -14.969 0.000 0.00 0.00 C+0 HETATM 91 C UNK 0 50.863 -14.157 0.000 0.00 0.00 C+0 HETATM 92 C UNK 0 50.814 -12.618 0.000 0.00 0.00 C+0 HETATM 93 C UNK 0 36.000 -23.064 0.000 0.00 0.00 C+0 HETATM 94 C UNK 0 35.322 -24.447 0.000 0.00 0.00 C+0 HETATM 95 O UNK 0 35.141 -21.786 0.000 0.00 0.00 O+0 HETATM 96 C UNK 0 33.786 -24.552 0.000 0.00 0.00 C+0 HETATM 97 C UNK 0 33.605 -21.890 0.000 0.00 0.00 C+0 HETATM 98 C UNK 0 32.927 -23.273 0.000 0.00 0.00 C+0 HETATM 99 O UNK 0 37.536 -22.960 0.000 0.00 0.00 O+0 HETATM 100 C UNK 0 42.245 -22.700 0.000 0.00 0.00 C+0 HETATM 101 C UNK 0 41.567 -24.082 0.000 0.00 0.00 C+0 HETATM 102 O UNK 0 41.388 -21.421 0.000 0.00 0.00 O+0 HETATM 103 C UNK 0 40.030 -24.186 0.000 0.00 0.00 C+0 HETATM 104 C UNK 0 39.851 -21.524 0.000 0.00 0.00 C+0 HETATM 105 C UNK 0 39.173 -22.907 0.000 0.00 0.00 C+0 HETATM 106 C UNK 0 32.746 -20.612 0.000 0.00 0.00 C+0 HETATM 107 O UNK 0 33.424 -19.229 0.000 0.00 0.00 O+0 HETATM 108 O UNK 0 33.108 -25.935 0.000 0.00 0.00 O+0 HETATM 109 N UNK 0 36.181 -25.725 0.000 0.00 0.00 N+0 HETATM 110 O UNK 0 39.351 -25.568 0.000 0.00 0.00 O+0 HETATM 111 N UNK 0 42.424 -25.361 0.000 0.00 0.00 N+0 HETATM 112 O UNK 0 43.692 -22.654 0.000 0.00 0.00 O+0 HETATM 113 C UNK 0 38.994 -20.245 0.000 0.00 0.00 C+0 HETATM 114 O UNK 0 39.672 -18.863 0.000 0.00 0.00 O+0 HETATM 115 C UNK 0 35.503 -27.108 0.000 0.00 0.00 C+0 HETATM 116 C UNK 0 36.362 -28.387 0.000 0.00 0.00 C+0 HETATM 117 O UNK 0 33.967 -27.213 0.000 0.00 0.00 O+0 HETATM 118 C UNK 0 41.746 -26.744 0.000 0.00 0.00 C+0 HETATM 119 C UNK 0 42.603 -28.023 0.000 0.00 0.00 C+0 HETATM 120 O UNK 0 40.209 -26.847 0.000 0.00 0.00 O+0 HETATM 121 P UNK 0 44.419 -21.296 0.000 0.00 0.00 P+0 HETATM 122 O UNK 0 45.777 -22.023 0.000 0.00 0.00 O+0 HETATM 123 O UNK 0 45.146 -19.939 0.000 0.00 0.00 O+0 HETATM 124 O UNK 0 43.062 -20.569 0.000 0.00 0.00 O+0 HETATM 125 P UNK 0 43.012 -19.030 0.000 0.00 0.00 P+0 HETATM 126 O UNK 0 41.473 -19.079 0.000 0.00 0.00 O+0 HETATM 127 O UNK 0 44.552 -18.981 0.000 0.00 0.00 O+0 HETATM 128 O UNK 0 42.963 -17.491 0.000 0.00 0.00 O+0 HETATM 129 C UNK 0 44.272 -16.679 0.000 0.00 0.00 C+0 HETATM 130 C UNK 0 44.222 -15.139 0.000 0.00 0.00 C+0 HETATM 131 C UNK 0 45.531 -14.327 0.000 0.00 0.00 C+0 HETATM 132 C UNK 0 45.482 -12.788 0.000 0.00 0.00 C+0 HETATM 133 C UNK 0 46.888 -15.054 0.000 0.00 0.00 C+0 HETATM 134 C UNK 0 48.197 -14.242 0.000 0.00 0.00 C+0 HETATM 135 C UNK 0 120.054 -9.463 0.000 0.00 0.00 C+0 HETATM 136 C UNK 0 118.776 -10.322 0.000 0.00 0.00 C+0 HETATM 137 C UNK 0 117.393 -9.644 0.000 0.00 0.00 C+0 HETATM 138 C UNK 0 116.115 -10.502 0.000 0.00 0.00 C+0 HETATM 139 C UNK 0 119.950 -7.927 0.000 0.00 0.00 C+0 HETATM 140 C UNK 0 114.732 -9.824 0.000 0.00 0.00 C+0 HETATM 141 C UNK 0 125.377 -9.102 0.000 0.00 0.00 C+0 HETATM 142 C UNK 0 124.098 -9.961 0.000 0.00 0.00 C+0 HETATM 143 C UNK 0 122.716 -9.283 0.000 0.00 0.00 C+0 HETATM 144 C UNK 0 121.437 -10.141 0.000 0.00 0.00 C+0 HETATM 145 C UNK 0 125.273 -7.566 0.000 0.00 0.00 C+0 HETATM 146 C UNK 0 126.760 -9.780 0.000 0.00 0.00 C+0 HETATM 147 C UNK 0 113.454 -10.683 0.000 0.00 0.00 C+0 HETATM 148 C UNK 0 112.071 -10.005 0.000 0.00 0.00 C+0 HETATM 149 C UNK 0 110.792 -10.863 0.000 0.00 0.00 C+0 HETATM 150 C UNK 0 114.628 -8.288 0.000 0.00 0.00 C+0 HETATM 151 C UNK 0 109.410 -10.185 0.000 0.00 0.00 C+0 HETATM 152 C UNK 0 93.442 -11.269 0.000 0.00 0.00 C+0 HETATM 153 C UNK 0 92.164 -12.127 0.000 0.00 0.00 C+0 HETATM 154 C UNK 0 90.781 -11.449 0.000 0.00 0.00 C+0 HETATM 155 C UNK 0 89.503 -12.307 0.000 0.00 0.00 C+0 HETATM 156 C UNK 0 93.338 -9.732 0.000 0.00 0.00 C+0 HETATM 157 C UNK 0 88.120 -11.630 0.000 0.00 0.00 C+0 HETATM 158 C UNK 0 98.765 -10.907 0.000 0.00 0.00 C+0 HETATM 159 C UNK 0 97.486 -11.766 0.000 0.00 0.00 C+0 HETATM 160 C UNK 0 96.103 -11.088 0.000 0.00 0.00 C+0 HETATM 161 C UNK 0 94.825 -11.946 0.000 0.00 0.00 C+0 HETATM 162 C UNK 0 98.661 -9.371 0.000 0.00 0.00 C+0 HETATM 163 C UNK 0 104.087 -10.546 0.000 0.00 0.00 C+0 HETATM 164 C UNK 0 102.809 -11.405 0.000 0.00 0.00 C+0 HETATM 165 C UNK 0 101.426 -10.727 0.000 0.00 0.00 C+0 HETATM 166 C UNK 0 100.147 -11.585 0.000 0.00 0.00 C+0 HETATM 167 C UNK 0 103.983 -9.010 0.000 0.00 0.00 C+0 HETATM 168 C UNK 0 108.131 -11.044 0.000 0.00 0.00 C+0 HETATM 169 C UNK 0 106.748 -10.366 0.000 0.00 0.00 C+0 HETATM 170 C UNK 0 105.470 -11.224 0.000 0.00 0.00 C+0 HETATM 171 C UNK 0 109.305 -8.649 0.000 0.00 0.00 C+0 HETATM 172 C UNK 0 86.841 -12.488 0.000 0.00 0.00 C+0 HETATM 173 C UNK 0 85.459 -11.810 0.000 0.00 0.00 C+0 HETATM 174 C UNK 0 84.180 -12.669 0.000 0.00 0.00 C+0 HETATM 175 C UNK 0 88.016 -10.093 0.000 0.00 0.00 C+0 HETATM 176 C UNK 0 82.797 -11.991 0.000 0.00 0.00 C+0 HETATM 177 C UNK 0 81.519 -12.849 0.000 0.00 0.00 C+0 HETATM 178 C UNK 0 80.136 -12.171 0.000 0.00 0.00 C+0 HETATM 179 C UNK 0 78.858 -13.030 0.000 0.00 0.00 C+0 HETATM 180 C UNK 0 82.693 -10.454 0.000 0.00 0.00 C+0 HETATM 181 C UNK 0 77.475 -12.352 0.000 0.00 0.00 C+0 HETATM 182 C UNK 0 61.508 -13.435 0.000 0.00 0.00 C+0 HETATM 183 C UNK 0 60.229 -14.293 0.000 0.00 0.00 C+0 HETATM 184 C UNK 0 58.846 -13.615 0.000 0.00 0.00 C+0 HETATM 185 C UNK 0 57.568 -14.474 0.000 0.00 0.00 C+0 HETATM 186 C UNK 0 61.403 -11.898 0.000 0.00 0.00 C+0 HETATM 187 C UNK 0 56.185 -13.796 0.000 0.00 0.00 C+0 HETATM 188 C UNK 0 66.830 -13.074 0.000 0.00 0.00 C+0 HETATM 189 C UNK 0 65.552 -13.932 0.000 0.00 0.00 C+0 HETATM 190 C UNK 0 64.169 -13.254 0.000 0.00 0.00 C+0 HETATM 191 C UNK 0 62.890 -14.113 0.000 0.00 0.00 C+0 HETATM 192 C UNK 0 66.726 -11.537 0.000 0.00 0.00 C+0 HETATM 193 C UNK 0 72.153 -12.713 0.000 0.00 0.00 C+0 HETATM 194 C UNK 0 70.874 -13.571 0.000 0.00 0.00 C+0 HETATM 195 C UNK 0 69.491 -12.893 0.000 0.00 0.00 C+0 HETATM 196 C UNK 0 68.213 -13.752 0.000 0.00 0.00 C+0 HETATM 197 C UNK 0 72.048 -11.176 0.000 0.00 0.00 C+0 HETATM 198 C UNK 0 76.197 -13.210 0.000 0.00 0.00 C+0 HETATM 199 C UNK 0 74.814 -12.532 0.000 0.00 0.00 C+0 HETATM 200 C UNK 0 73.535 -13.391 0.000 0.00 0.00 C+0 HETATM 201 C UNK 0 77.371 -10.815 0.000 0.00 0.00 C+0 HETATM 202 C UNK 0 54.907 -14.654 0.000 0.00 0.00 C+0 HETATM 203 C UNK 0 53.524 -13.976 0.000 0.00 0.00 C+0 HETATM 204 C UNK 0 52.246 -14.835 0.000 0.00 0.00 C+0 HETATM 205 C UNK 0 56.081 -12.259 0.000 0.00 0.00 C+0 CONECT 1 5 CONECT 2 3 4 CONECT 3 2 5 12 CONECT 4 2 6 8 CONECT 5 3 7 1 CONECT 6 4 7 10 CONECT 7 5 6 11 CONECT 8 4 9 CONECT 9 8 CONECT 10 6 CONECT 11 7 CONECT 12 3 19 CONECT 13 14 15 CONECT 14 13 16 23 CONECT 15 13 17 19 CONECT 16 14 18 22 CONECT 17 15 18 20 CONECT 18 16 17 21 CONECT 19 15 12 CONECT 20 17 CONECT 21 18 25 CONECT 22 16 CONECT 23 14 52 CONECT 24 25 26 CONECT 25 24 27 21 CONECT 26 24 28 30 CONECT 27 25 29 34 CONECT 28 26 29 32 CONECT 29 27 28 33 CONECT 30 26 31 CONECT 31 30 CONECT 32 28 CONECT 33 29 CONECT 34 27 36 CONECT 35 36 37 CONECT 36 35 38 34 CONECT 37 35 39 41 CONECT 38 36 40 45 CONECT 39 37 40 43 CONECT 40 38 39 44 CONECT 41 37 42 CONECT 42 41 CONECT 43 39 CONECT 44 40 CONECT 45 38 CONECT 46 47 48 CONECT 47 46 49 56 CONECT 48 46 50 52 CONECT 49 47 51 55 CONECT 50 48 51 53 CONECT 51 49 50 54 CONECT 52 48 23 CONECT 53 50 CONECT 54 51 58 CONECT 55 49 CONECT 56 47 98 CONECT 57 58 59 CONECT 58 57 60 54 CONECT 59 57 61 63 CONECT 60 58 62 67 CONECT 61 59 62 65 CONECT 62 60 61 66 CONECT 63 59 64 CONECT 64 63 CONECT 65 61 CONECT 66 62 CONECT 67 60 69 CONECT 68 69 70 CONECT 69 68 71 67 CONECT 70 68 72 74 CONECT 71 69 73 78 CONECT 72 70 73 76 CONECT 73 71 72 77 CONECT 74 70 75 CONECT 75 74 CONECT 76 72 CONECT 77 73 CONECT 78 71 80 CONECT 79 80 81 CONECT 80 79 82 78 CONECT 81 79 83 85 CONECT 82 80 84 89 CONECT 83 81 84 87 CONECT 84 82 83 88 CONECT 85 81 86 CONECT 86 85 CONECT 87 83 CONECT 88 84 CONECT 89 82 CONECT 90 91 134 CONECT 91 90 92 204 CONECT 92 91 CONECT 93 94 95 99 CONECT 94 93 96 109 CONECT 95 93 97 CONECT 96 94 98 108 CONECT 97 95 98 106 CONECT 98 96 97 56 CONECT 99 93 105 CONECT 100 101 102 112 CONECT 101 100 103 111 CONECT 102 100 104 CONECT 103 101 105 110 CONECT 104 102 105 113 CONECT 105 103 104 99 CONECT 106 97 107 CONECT 107 106 CONECT 108 96 CONECT 109 94 115 CONECT 110 103 CONECT 111 101 118 CONECT 112 100 121 CONECT 113 104 114 CONECT 114 113 CONECT 115 109 116 117 CONECT 116 115 CONECT 117 115 CONECT 118 111 119 120 CONECT 119 118 CONECT 120 118 CONECT 121 122 123 124 112 CONECT 122 121 CONECT 123 121 CONECT 124 121 125 CONECT 125 126 127 128 124 CONECT 126 125 CONECT 127 125 CONECT 128 125 129 CONECT 129 128 130 CONECT 130 129 131 CONECT 131 130 132 133 CONECT 132 131 CONECT 133 131 134 CONECT 134 133 90 CONECT 135 136 139 144 CONECT 136 135 137 CONECT 137 136 138 CONECT 138 137 140 CONECT 139 135 CONECT 140 138 147 150 CONECT 141 142 145 146 CONECT 142 141 143 CONECT 143 142 144 CONECT 144 143 135 CONECT 145 141 CONECT 146 141 CONECT 147 140 148 CONECT 148 147 149 CONECT 149 148 151 CONECT 150 140 CONECT 151 149 168 171 CONECT 152 153 156 161 CONECT 153 152 154 CONECT 154 153 155 CONECT 155 154 157 CONECT 156 152 CONECT 157 155 172 175 CONECT 158 159 162 166 CONECT 159 158 160 CONECT 160 159 161 CONECT 161 160 152 CONECT 162 158 CONECT 163 164 167 170 CONECT 164 163 165 CONECT 165 164 166 CONECT 166 165 158 CONECT 167 163 CONECT 168 151 169 CONECT 169 168 170 CONECT 170 169 163 CONECT 171 151 CONECT 172 157 173 CONECT 173 172 174 CONECT 174 173 176 CONECT 175 157 CONECT 176 174 177 180 CONECT 177 176 178 CONECT 178 177 179 CONECT 179 178 181 CONECT 180 176 CONECT 181 179 198 201 CONECT 182 183 186 191 CONECT 183 182 184 CONECT 184 183 185 CONECT 185 184 187 CONECT 186 182 CONECT 187 185 202 205 CONECT 188 189 192 196 CONECT 189 188 190 CONECT 190 189 191 CONECT 191 190 182 CONECT 192 188 CONECT 193 194 197 200 CONECT 194 193 195 CONECT 195 194 196 CONECT 196 195 188 CONECT 197 193 CONECT 198 181 199 CONECT 199 198 200 CONECT 200 199 193 CONECT 201 181 CONECT 202 187 203 CONECT 203 202 204 CONECT 204 203 91 CONECT 205 187 MASTER 0 0 0 0 0 0 0 0 205 0 428 0 END SMILES for NP0091932 ((Mannosyl)8-(N-acetylglucosaminyl)2-diphosphodolichol)OC[C@H]1O[C@H](OC[C@H]2O[C@H](OC[C@H]3O[C@@H](O[C@H]4[C@H](O)[C@@H](NC(C)=O)[C@@H](O[C@@H]4CO)O[C@H]4[C@H](O)[C@@H](NC(C)=O)[C@@H](O[C@@H]4CO)OP(=O)(O)OP(=O)(O)OCCC(C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)[C@@H](O)[C@@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@@H]3O)[C@@H](O)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O INCHI for NP0091932 ((Mannosyl)8-(N-acetylglucosaminyl)2-diphosphodolichol)InChI=1S/C144H240N2O57P2/c1-77(2)35-20-36-78(3)37-21-38-79(4)39-22-40-80(5)41-23-42-81(6)43-24-44-82(7)45-25-46-83(8)47-26-48-84(9)49-27-50-85(10)51-28-52-86(11)53-29-54-87(12)55-30-56-88(13)57-31-58-89(14)59-32-60-90(15)61-33-62-91(16)63-34-64-92(17)65-66-184-204(178,179)203-205(180,181)202-136-106(146-94(19)156)116(166)128(102(74-154)192-136)195-135-105(145-93(18)155)115(165)129(101(73-153)191-135)196-141-127(177)131(198-143-134(122(172)112(162)99(71-151)189-143)201-144-133(121(171)111(161)100(72-152)190-144)200-140-125(175)119(169)109(159)97(69-149)187-140)114(164)104(194-141)76-183-138-126(176)130(113(163)103(193-138)75-182-137-123(173)117(167)107(157)95(67-147)185-137)197-142-132(120(170)110(160)98(70-150)188-142)199-139-124(174)118(168)108(158)96(68-148)186-139/h35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,92,95-144,147-154,157-177H,20-34,36,38,40,42,44,46,48,50,52,54,56,58,60,62,64-76H2,1-19H3,(H,145,155)(H,146,156)(H,178,179)(H,180,181)/b78-37+,79-39+,80-41+,81-43+,82-45+,83-47+,84-49+,85-51+,86-53+,87-55+,88-57+,89-59+,90-61+,91-63+/t92?,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117+,118+,119+,120+,121+,122+,123+,124+,125+,126+,127+,128-,129-,130+,131+,132+,133+,134+,135+,136+,137+,138+,139-,140-,141+,142-,143-,144-/m1/s1 3D Structure for NP0091932 ((Mannosyl)8-(N-acetylglucosaminyl)2-diphosphodolichol) | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Synonyms | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemical Formula | C144H240N2O57P2 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Average Mass | 2973.3731 Da | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Monoisotopic Mass | 2971.54181 Da | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| IUPAC Name | {[(2S,3R,4R,5S,6R)-5-{[(2S,3R,4R,5S,6R)-5-{[(2S,3S,4S,5R,6R)-6-({[(2S,3S,4S,5R,6R)-4-{[(2R,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3,5-dihydroxy-6-({[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}methyl)-4-{[(2R,3S,4S,5S,6R)-3-{[(2R,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,5-dihydroxyoxan-2-yl]oxy}-3-acetamido-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-acetamido-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}[({[(6E,10E,14E,18E,22E,26E,30E,34E,38E,42E,46E,50E,54E,58E)-3,7,11,15,19,23,27,31,35,39,43,47,51,55,59,63-hexadecamethyltetrahexaconta-6,10,14,18,22,26,30,34,38,42,46,50,54,58,62-pentadecaen-1-yl]oxy}(hydroxy)phosphoryl)oxy]phosphinic acid | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Traditional Name | [(2S,3R,4R,5S,6R)-5-{[(2S,3R,4R,5S,6R)-5-{[(2S,3S,4S,5R,6R)-6-({[(2S,3S,4S,5R,6R)-4-{[(2R,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3,5-dihydroxy-6-({[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}methyl)-4-{[(2R,3S,4S,5S,6R)-3-{[(2R,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,5-dihydroxyoxan-2-yl]oxy}-3-acetamido-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-acetamido-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy({[(6E,10E,14E,18E,22E,26E,30E,34E,38E,42E,46E,50E,54E,58E)-3,7,11,15,19,23,27,31,35,39,43,47,51,55,59,63-hexadecamethyltetrahexaconta-6,10,14,18,22,26,30,34,38,42,46,50,54,58,62-pentadecaen-1-yl]oxy(hydroxy)phosphoryl}oxy)phosphinic acid | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| CAS Registry Number | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| SMILES | OC[C@H]1O[C@H](OC[C@H]2O[C@H](OC[C@H]3O[C@@H](O[C@H]4[C@H](O)[C@@H](NC(C)=O)[C@@H](O[C@@H]4CO)O[C@H]4[C@H](O)[C@@H](NC(C)=O)[C@@H](O[C@@H]4CO)OP(=O)(O)OP(=O)(O)OCCC(C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)[C@@H](O)[C@@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@@H]3O)[C@@H](O)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Identifier | InChI=1S/C144H240N2O57P2/c1-77(2)35-20-36-78(3)37-21-38-79(4)39-22-40-80(5)41-23-42-81(6)43-24-44-82(7)45-25-46-83(8)47-26-48-84(9)49-27-50-85(10)51-28-52-86(11)53-29-54-87(12)55-30-56-88(13)57-31-58-89(14)59-32-60-90(15)61-33-62-91(16)63-34-64-92(17)65-66-184-204(178,179)203-205(180,181)202-136-106(146-94(19)156)116(166)128(102(74-154)192-136)195-135-105(145-93(18)155)115(165)129(101(73-153)191-135)196-141-127(177)131(198-143-134(122(172)112(162)99(71-151)189-143)201-144-133(121(171)111(161)100(72-152)190-144)200-140-125(175)119(169)109(159)97(69-149)187-140)114(164)104(194-141)76-183-138-126(176)130(113(163)103(193-138)75-182-137-123(173)117(167)107(157)95(67-147)185-137)197-142-132(120(170)110(160)98(70-150)188-142)199-139-124(174)118(168)108(158)96(68-148)186-139/h35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,92,95-144,147-154,157-177H,20-34,36,38,40,42,44,46,48,50,52,54,56,58,60,62,64-76H2,1-19H3,(H,145,155)(H,146,156)(H,178,179)(H,180,181)/b78-37+,79-39+,80-41+,81-43+,82-45+,83-47+,84-49+,85-51+,86-53+,87-55+,88-57+,89-59+,90-61+,91-63+/t92?,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117+,118+,119+,120+,121+,122+,123+,124+,125+,126+,127+,128-,129-,130+,131+,132+,133+,134+,135+,136+,137+,138+,139-,140-,141+,142-,143-,144-/m1/s1 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Key | YRUUGXZUKTWFST-JNAUNXQKSA-N | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Experimental Spectra | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Predicted Spectra | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| 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 polyprenyl phospho carbohydrates. These are polyprenyl phosphates with a carbohydrate moiety attached to it. | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Kingdom | Organic compounds | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Super Class | Lipids and lipid-like molecules | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Class | Prenol lipids | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Sub Class | Polyprenols | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Direct Parent | Polyprenyl phospho carbohydrates | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Alternative Parents |
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| Substituents |
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| Molecular Framework | Aliphatic heteromonocyclic compounds | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| External Descriptors | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Physical Properties | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| State | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Experimental Properties |
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| Predicted Properties |
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| External Links | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| HMDB ID | HMDB0012124 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| DrugBank ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Phenol Explorer Compound ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| FoodDB ID | FDB028788 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| KNApSAcK ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemspider ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| KEGG Compound ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| BioCyc ID | CPD-5167 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| BiGG ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Wikipedia Link | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| METLIN ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| PubChem Compound | 53481376 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| PDB ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| ChEBI ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Good Scents ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| References | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| General References |
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