NP-MRD: Showing NP-Card for Purothionin AII (NP0049285)

Jump To Section:

Identification Spectra BioTaxonomy ChemoTaxonomy Physical properties Links References XML

Record Information

Version

1.0

Created at

2022-03-17 21:10:00 UTC

Updated at

2022-03-17 21:10:00 UTC

NP-MRD ID

NP0049285

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Purothionin AII

Description

Purothionin AII, also known as blastmycin or a1-purothionin, belongs to the class of organic compounds known as acylaminobenzoic acid and derivatives. These are derivatives of amino benzoic acid derivatives where the amine group is N-acylated. Purothionin AII is an extremely weak basic (essentially neutral) compound (based on its pKa). Outside of the human body, Purothionin AII has been detected, but not quantified in, a few different foods, such as cereals and cereal products, common wheats, and wheats. Purothionin AII is found in Streptomyces argillaceus. This could make purothionin aii a potential biomarker for the consumption of these foods.

Structure

MOL SDF PDB SMILES InChI


  Mrv0541 02241221102D          

 37 38  0  0  1  0            999 V2000
   -0.0149    1.5548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2971    0.7796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1096    0.6363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3917   -0.1389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2042   -0.2822    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.3474   -1.0946    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.9794   -1.6249    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.8044   -1.6249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4364   -1.0946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1509   -1.5071    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5797   -0.2822    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.1672    0.4323    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.3919    0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6167    0.4323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0864    1.0643    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6975    1.0643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3921   -0.1389    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9224   -0.7709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6403   -1.5461    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7349   -0.6276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2652   -1.2596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0777   -1.1164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3598   -0.3411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8295    0.2909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0171    0.1476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6080   -1.7483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3258   -2.5236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8561   -3.1556    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9830   -2.0349    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6973   -2.4002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6330   -1.5071    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9185   -1.0946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9185   -0.2696    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2040   -1.5071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5104   -1.0946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5104   -0.2696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2249   -1.5071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  5  4  1  6  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
  5 14  1  0  0  0  0
 14 15  2  0  0  0  0
 12 16  1  1  0  0  0
 11 17  1  1  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 20 25  1  0  0  0  0
 22 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 21 29  1  0  0  0  0
  7 30  1  6  0  0  0
  6 31  1  1  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 32 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 35 37  1  0  0  0  0
M  END


  Mrv0541 02241221102D          

 37 38  0  0  1  0            999 V2000
   -0.0149    1.5548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2971    0.7796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1096    0.6363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3917   -0.1389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2042   -0.2822    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.3474   -1.0946    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.9794   -1.6249    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.8044   -1.6249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4364   -1.0946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1509   -1.5071    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5797   -0.2822    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.1672    0.4323    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.3919    0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6167    0.4323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0864    1.0643    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6975    1.0643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3921   -0.1389    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9224   -0.7709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6403   -1.5461    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7349   -0.6276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2652   -1.2596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0777   -1.1164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3598   -0.3411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8295    0.2909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0171    0.1476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6080   -1.7483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3258   -2.5236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8561   -3.1556    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9830   -2.0349    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6973   -2.4002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6330   -1.5071    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9185   -1.0946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9185   -0.2696    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2040   -1.5071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5104   -1.0946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5104   -0.2696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2249   -1.5071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  5  4  1  6  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
  5 14  1  0  0  0  0
 14 15  2  0  0  0  0
 12 16  1  1  0  0  0
 11 17  1  1  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 20 25  1  0  0  0  0
 22 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 21 29  1  0  0  0  0
  7 30  1  6  0  0  0
  6 31  1  1  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 32 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 35 37  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0049285

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CCCC[C@@H]1[C@@H](OC(=O)CC(C)C)[C@H](C)OC(=O)[C@@H](NC(=O)C2=C(O)C(NC=O)=CC=C2)[C@@H](C)OC1=O

> <INCHI_IDENTIFIER>
InChI=1S/C26H36N2O9/c1-6-7-9-18-23(37-20(30)12-14(2)3)16(5)36-26(34)21(15(4)35-25(18)33)28-24(32)17-10-8-11-19(22(17)31)27-13-29/h8,10-11,13-16,18,21,23,31H,6-7,9,12H2,1-5H3,(H,27,29)(H,28,32)/t15-,16+,18-,21+,23+/m1/s1

> <INCHI_KEY>
PVEVXUMVNWSNIG-PDPGNHKXSA-N

> <FORMULA>
C26H36N2O9

> <MOLECULAR_WEIGHT>
520.572

> <EXACT_MASS>
520.24208076

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_AVERAGE_POLARIZABILITY>
54.24120004418777

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2R,3S,6S,7R,8R)-8-butyl-3-(3-formamido-2-hydroxybenzamido)-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl 3-methylbutanoate

> <ALOGPS_LOGP>
2.88

> <JCHEM_LOGP>
4.060963722333334

> <ALOGPS_LOGS>
-3.74

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
15.422264782293194

> <JCHEM_PKA_STRONGEST_ACIDIC>
7.510311861343295

> <JCHEM_PKA_STRONGEST_BASIC>
-1.701077309796541

> <JCHEM_POLAR_SURFACE_AREA>
157.32999999999996

> <JCHEM_REFRACTIVITY>
132.6752

> <JCHEM_ROTATABLE_BOND_COUNT>
10

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
9.55e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2R,3S,6S,7R,8R)-8-butyl-3-(3-formamido-2-hydroxybenzamido)-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl 3-methylbutanoate

> <JCHEM_VEBER_RULE>
0

$$$$

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  C   UNK     0      -0.028   2.902   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -0.555   1.455   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -2.071   1.188   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -2.598  -0.259   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -4.115  -0.527   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -4.382  -2.043   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -5.562  -3.033   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0      -7.102  -3.033   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0      -8.281  -2.043   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0      -9.615  -2.813   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0      -8.549  -0.527   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -7.779   0.807   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0      -6.332   1.334   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0      -4.885   0.807   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0      -3.895   1.987   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0      -8.769   1.987   0.000  0.00  0.00           C+0
HETATM   17  N   UNK     0     -10.065  -0.259   0.000  0.00  0.00           N+0
HETATM   18  C   UNK     0     -11.055  -1.439   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0     -10.529  -2.886   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0     -12.572  -1.172   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0     -13.562  -2.351   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0     -15.078  -2.084   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0     -15.605  -0.637   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0     -14.615   0.543   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0     -13.099   0.276   0.000  0.00  0.00           C+0
HETATM   26  N   UNK     0     -16.068  -3.263   0.000  0.00  0.00           N+0
HETATM   27  C   UNK     0     -15.541  -4.711   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0     -16.531  -5.890   0.000  0.00  0.00           O+0
HETATM   29  O   UNK     0     -13.035  -3.798   0.000  0.00  0.00           O+0
HETATM   30  C   UNK     0      -5.035  -4.480   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0      -3.048  -2.813   0.000  0.00  0.00           O+0
HETATM   32  C   UNK     0      -1.715  -2.043   0.000  0.00  0.00           C+0
HETATM   33  O   UNK     0      -1.715  -0.503   0.000  0.00  0.00           O+0
HETATM   34  C   UNK     0      -0.381  -2.813   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       0.953  -2.043   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0       0.953  -0.503   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0       2.286  -2.813   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6   14                                                  
CONECT    6    5    7   31                                                  
CONECT    7    6    8   30                                                  
CONECT    8    7    9                                                       
CONECT    9    8   10   11                                                  
CONECT   10    9                                                            
CONECT   11    9   12   17                                                  
CONECT   12   11   13   16                                                  
CONECT   13   12   14                                                       
CONECT   14   13    5   15                                                  
CONECT   15   14                                                            
CONECT   16   12                                                            
CONECT   17   11   18                                                       
CONECT   18   17   19   20                                                  
CONECT   19   18                                                            
CONECT   20   18   21   25                                                  
CONECT   21   20   22   29                                                  
CONECT   22   21   23   26                                                  
CONECT   23   22   24                                                       
CONECT   24   23   25                                                       
CONECT   25   24   20                                                       
CONECT   26   22   27                                                       
CONECT   27   26   28                                                       
CONECT   28   27                                                            
CONECT   29   21                                                            
CONECT   30    7                                                            
CONECT   31    6   32                                                       
CONECT   32   31   33   34                                                  
CONECT   33   32                                                            
CONECT   34   32   35                                                       
CONECT   35   34   36   37                                                  
CONECT   36   35                                                            
CONECT   37   35                                                            
MASTER        0    0    0    0    0    0    0    0   37    0   76    0
END

View in JSmol

Synonyms

Value	Source
a1-Purothionin	HMDB
Antimycin a3	HMDB
Blastmycin	HMDB
Blastomycin	HMDB
Peptide SP2	HMDB
N-[(3S,4R,7R,8R,9S)-7-Butyl-4,9-dimethyl-8-[(3-methylbutanoyl)oxy]-2,6-dioxo-1,5-dioxonan-3-yl]-2-hydroxy-3-[(hydroxymethylidene)amino]benzene-1-carboximidate	Generator
ANTIMYCIN a(3)	MeSH

Chemical Formula

C₂₆H₃₆N₂O₉

Average Mass

520.5720 Da

Monoisotopic Mass

520.24208 Da

IUPAC Name

(2R,3S,6S,7R,8R)-8-butyl-3-(3-formamido-2-hydroxybenzamido)-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl 3-methylbutanoate

Traditional Name

(2R,3S,6S,7R,8R)-8-butyl-3-(3-formamido-2-hydroxybenzamido)-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl 3-methylbutanoate

CAS Registry Number

58239-09-1

SMILES

CCCC[C@@H]1[C@@H](OC(=O)CC(C)C)[C@H](C)OC(=O)[C@@H](NC(=O)C2=C(O)C(NC=O)=CC=C2)[C@@H](C)OC1=O

InChI Identifier

InChI=1S/C26H36N2O9/c1-6-7-9-18-23(37-20(30)12-14(2)3)16(5)36-26(34)21(15(4)35-25(18)33)28-24(32)17-10-8-11-19(22(17)31)27-13-29/h8,10-11,13-16,18,21,23,31H,6-7,9,12H2,1-5H3,(H,27,29)(H,28,32)/t15-,16+,18-,21+,23+/m1/s1

InChI Key

PVEVXUMVNWSNIG-PDPGNHKXSA-N

Experimental Spectra

Not Available

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Streptomyces argillaceus	LOTUS Database	35616633
Triticum aestivum	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as acylaminobenzoic acid and derivatives. These are derivatives of amino benzoic acid derivatives where the amine group is N-acylated.

Kingdom

Organic compounds

Super Class

Benzenoids

Class

Benzene and substituted derivatives

Sub Class

Benzoic acids and derivatives

Direct Parent

Acylaminobenzoic acid and derivatives

Alternative Parents

Substituents

Alpha-amino acid ester
Acylaminobenzoic acid or derivatives
N-acyl-alpha amino acid or derivatives
Alpha-amino acid or derivatives
Salicylamide
Salicylic acid or derivatives
Benzamide
Anilide
Tricarboxylic acid or derivatives
Benzoyl
N-arylamide
1-hydroxy-4-unsubstituted benzenoid
Fatty acid ester
Phenol
Fatty acyl
Vinylogous acid
Carboxamide group
Carboxylic acid ester
Lactone
Secondary carboxylic acid amide
Oxacycle
Carboxylic acid derivative
Organoheterocyclic compound
Hydrocarbon derivative
Organic oxygen compound
Organic nitrogen compound
Carbonyl group
Organic oxide
Organonitrogen compound
Organooxygen compound
Organopnictogen compound
Aromatic heteromonocyclic compound

Molecular Framework

Aromatic heteromonocyclic compounds

External Descriptors

Not Available

Physical Properties

State

Not Available

Experimental Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Predicted Properties

Property	Value	Source
logP	2.88	ALOGPS
logP	4.06	ChemAxon
logS	-3.7	ALOGPS
pKa (Strongest Acidic)	7.51	ChemAxon
pKa (Strongest Basic)	-1.7	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	157.33 Å²	ChemAxon
Rotatable Bond Count	10	ChemAxon
Refractivity	132.68 m³·mol⁻¹	ChemAxon
Polarizability	54.24 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

HMDB0039001

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

FDB018492

KNApSAcK ID

Not Available

Chemspider ID

215110

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

245869

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Not Available

Showing NP-Card for Purothionin AII (NP0049285)

MOL for NP0049285 (Purothionin AII)

3D MOL for NP0049285 (Purothionin AII)

3D SDF for NP0049285 (Purothionin AII)

3D-SDF for NP0049285 (Purothionin AII)

PDB for NP0049285 (Purothionin AII)

3D PDB for NP0049285 (Purothionin AII)

SMILES for NP0049285 (Purothionin AII)

INCHI for NP0049285 (Purothionin AII)

Structure for NP0049285 (Purothionin AII)

3D Structure for NP0049285 (Purothionin AII)