NP-MRD: Showing NP-Card for Vulgaxanthin I (NP0045467)

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Record Information

Version

2.0

Created at

2022-03-17 19:20:28 UTC

Updated at

2022-03-17 19:20:28 UTC

NP-MRD ID

NP0045467

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Vulgaxanthin I

Description

Vulgaxanthin I belongs to the class of organic compounds known as glutamine and derivatives. Glutamine and derivatives are compounds containing glutamine or a derivative thereof resulting from reaction of glutamine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. Vulgaxanthin I is a very strong basic compound (based on its pKa). Outside of the human body, Vulgaxanthin I has been detected, but not quantified in, a few different foods, such as common beets, red beetroots, and root vegetables. Vulgaxanthin I is found in Beta spp., Mirabilis jalapa and Schlumbergera x buckleyi. This could make vulgaxanthin I a potential biomarker for the consumption of these foods.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 41 41  0  0  0  0  0  0  0  0999 V2000
    4.6937    2.8025   -0.0872 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7288    1.4354   -0.4283 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5075    1.0114   -1.3114 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8441    0.4663    0.2684 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8024   -0.8858   -0.3727 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7718   -1.6699    0.5171 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.5777   -1.0869    0.6004 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5240   -0.5138    0.6746 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8044   -1.2002    0.7511 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7952   -0.3632    0.8622 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6741    1.0947    0.7904 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5975    1.7616    0.0047 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5252    3.1642   -0.0971 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2727    3.8838   -0.8150 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5185    3.8484    0.6624 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5939    0.9549   -0.6688 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8597   -0.4007   -0.2997 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.2081   -0.8713   -0.4058 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8613   -0.9144   -1.5130 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9102   -1.3003    0.7422 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1953   -0.8409    0.9647 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7082   -3.0454    0.0877 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3068   -3.3737    0.2777 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2738   -4.0484   -0.3799 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4376    3.4628   -0.3048 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8265    3.1703    0.3948 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1828    0.3271    1.3147 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8053    0.8596    0.2568 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7767   -1.3802   -0.2373 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4748   -0.7537   -1.3808 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3237   -1.6761    1.5142 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5659    0.5524    0.6614 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9870   -2.2422    0.7456 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8732    1.6081    1.2644 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6895    3.6374    1.6678 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1338    1.4046   -1.4607 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2324   -1.0341   -1.0890 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4448   -0.5948    1.2553 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1964   -1.9411    1.0118 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7173   -0.3763    1.7997 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9584   -4.9325   -0.7615 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 21  1  0
 21 17  1  0
 17 16  1  0
 16 12  1  0
 12 11  2  0
 12 13  1  0
 13 15  1  0
 13 14  2  0
 17 18  1  0
 18 20  1  0
 18 19  2  0
  6 22  1  0
 22 24  1  0
 22 23  2  0
 11 10  1  0
  1 25  1  0
  1 26  1  0
  4 27  1  0
  4 28  1  0
  5 29  1  0
  5 30  1  0
  6 31  1  1
  8 32  1  0
  9 33  1  0
 21 39  1  0
 21 40  1  0
 17 37  1  6
 16 36  1  0
 11 34  1  0
 15 35  1  0
 20 38  1  0
 24 41  1  0
M  END


  Mrv0541 02241215532D          

 24 24  0  0  0  0            999 V2000
   -2.4802    0.2037    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7483    0.6096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0163    0.2037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0163   -0.6096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7483   -1.0163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4802   -0.6096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1309   -1.0163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1309   -1.8296    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3656   -1.0163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3656   -0.6096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3656    0.2037    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0976    0.6096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7483    0.2037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4802    0.6096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2122    0.2037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8629    0.6096    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3656    1.8296    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0976    1.4229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7483    1.8296    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2122   -0.6096    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4802    1.8296    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7483    1.4229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0163    1.8296    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8629   -0.6096    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  1  0  0  0  0
  2  3  2  0  0  0  0
  2 22  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  9  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7 24  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 18  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 20  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
M  END
> <DATABASE_ID>
NP0045467

> <DATABASE_NAME>
NP-MRD

> <SMILES>
NC(=O)CCC(\N=C\C=C1\CC(NC(=C1)C(O)=O)C(O)=O)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C14H17N3O7/c15-11(18)2-1-8(12(19)20)16-4-3-7-5-9(13(21)22)17-10(6-7)14(23)24/h3-5,8,10,17H,1-2,6H2,(H2,15,18)(H,19,20)(H,21,22)(H,23,24)/b7-3+,16-4+

> <INCHI_KEY>
PDBJJFJKNSKTSW-SIABEIIVSA-N

> <FORMULA>
C14H17N3O7

> <MOLECULAR_WEIGHT>
339.3007

> <EXACT_MASS>
339.106649913

> <JCHEM_ACCEPTOR_COUNT>
9

> <JCHEM_AVERAGE_POLARIZABILITY>
32.16626087527192

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(4Z)-4-[(2E)-2-[(3-carbamoyl-1-carboxypropyl)imino]ethylidene]-1,2,3,4-tetrahydropyridine-2,6-dicarboxylic acid

> <ALOGPS_LOGP>
-0.32

> <JCHEM_LOGP>
-3.783240166564725

> <ALOGPS_LOGS>
-3.12

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
3.5672069750538795

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.6432853555481786

> <JCHEM_PKA_STRONGEST_BASIC>
8.59154944914963

> <JCHEM_POLAR_SURFACE_AREA>
179.37999999999997

> <JCHEM_REFRACTIVITY>
80.9249

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.58e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(4Z)-4-[(2E)-2-[(3-carbamoyl-1-carboxypropyl)imino]ethylidene]-2,3-dihydro-1H-pyridine-2,6-dicarboxylic acid

> <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  N   UNK     0      -4.630   0.380   0.000  0.00  0.00           N+0
HETATM    2  C   UNK     0      -3.263   1.138   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -1.897   0.380   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -1.897  -1.138   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -3.263  -1.897   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -4.630  -1.138   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -5.844  -1.897   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0      -5.844  -3.415   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0      -0.682  -1.897   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       0.682  -1.138   0.000  0.00  0.00           C+0
HETATM   11  N   UNK     0       0.682   0.380   0.000  0.00  0.00           N+0
HETATM   12  C   UNK     0       2.049   1.138   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       3.263   0.380   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       4.630   1.138   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       5.996   0.380   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0       7.211   1.138   0.000  0.00  0.00           O+0
HETATM   17  O   UNK     0       0.682   3.415   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0       2.049   2.656   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0       3.263   3.415   0.000  0.00  0.00           O+0
HETATM   20  N   UNK     0       5.996  -1.138   0.000  0.00  0.00           N+0
HETATM   21  O   UNK     0      -4.630   3.415   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0      -3.263   2.656   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0      -1.897   3.415   0.000  0.00  0.00           O+0
HETATM   24  O   UNK     0      -7.211  -1.138   0.000  0.00  0.00           O+0
CONECT    1    2    6                                                       
CONECT    2    1    3   22                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5    9                                                  
CONECT    5    4    6                                                       
CONECT    6    1    5    7                                                  
CONECT    7    6    8   24                                                  
CONECT    8    7                                                            
CONECT    9    4   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13   18                                                  
CONECT   13   12   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   16   20                                                  
CONECT   16   15                                                            
CONECT   17   18                                                            
CONECT   18   12   17   19                                                  
CONECT   19   18                                                            
CONECT   20   15                                                            
CONECT   21   22                                                            
CONECT   22    2   21   23                                                  
CONECT   23   22                                                            
CONECT   24    7                                                            
MASTER        0    0    0    0    0    0    0    0   24    0   48    0
END

View in JSmol

Synonyms

Value	Source
Vulgaxanthin-I	HMDB
(4Z)-4-[(2E)-2-{[1-carboxy-3-(C-hydroxycarbonimidoyl)propyl]imino}ethylidene]-1,2,3,4-tetrahydropyridine-2,6-dicarboxylate	Generator

Chemical Formula

C₁₄H₁₇N₃O₇

Average Mass

339.3007 Da

Monoisotopic Mass

339.10665 Da

IUPAC Name

(4Z)-4-[(2E)-2-[(3-carbamoyl-1-carboxypropyl)imino]ethylidene]-1,2,3,4-tetrahydropyridine-2,6-dicarboxylic acid

Traditional Name

(4Z)-4-[(2E)-2-[(3-carbamoyl-1-carboxypropyl)imino]ethylidene]-2,3-dihydro-1H-pyridine-2,6-dicarboxylic acid

CAS Registry Number

904-62-1

SMILES

NC(=O)CCC(\N=C\C=C1\CC(NC(=C1)C(O)=O)C(O)=O)C(O)=O

InChI Identifier

InChI=1S/C14H17N3O7/c15-11(18)2-1-8(12(19)20)16-4-3-7-5-9(13(21)22)17-10(6-7)14(23)24/h3-5,8,10,17H,1-2,6H2,(H2,15,18)(H,19,20)(H,21,22)(H,23,24)/b7-3+,16-4+

InChI Key

PDBJJFJKNSKTSW-SIABEIIVSA-N

Experimental Spectra

Not Available

Predicted Spectra

Spectrum Type	Description	Depositor ID	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 25 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Beta spp.	Plant	KNApSAcK
Beta vulgaris	FooDB	KNAPSACK
Mirabilis jalapa	Plant	KNApSAcK
Schlumbergera x buckleyi	Plant	KNApSAcK

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as glutamine and derivatives. Glutamine and derivatives are compounds containing glutamine or a derivative thereof resulting from reaction of glutamine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

Glutamine and derivatives

Alternative Parents

Substituents

Glutamine or derivatives
Alpha-amino acid
Tricarboxylic acid or derivatives
Tetrahydropyridine
Fatty amide
Hydropyridine
Fatty acyl
Carboxamide group
Carboxylic acid salt
Primary carboxylic acid amide
Shiff base
Amino acid
Azacycle
Organoheterocyclic compound
Organic 1,3-dipolar compound
Aldimine
Carboxylic acid
Secondary aliphatic amine
Enamine
Primary aldimine
Secondary amine
Propargyl-type 1,3-dipolar organic compound
Organopnictogen compound
Organic oxygen compound
Organonitrogen compound
Organooxygen compound
Hydrocarbon derivative
Organic nitrogen compound
Organic salt
Amine
Organic oxide
Carbonyl group
Organic zwitterion
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic 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	-0.32	ALOGPS
logP	-3.8	ChemAxon
logS	-3.1	ALOGPS
pKa (Strongest Acidic)	1.64	ChemAxon
pKa (Strongest Basic)	8.59	ChemAxon
Physiological Charge	-2	ChemAxon
Hydrogen Acceptor Count	9	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	179.38 Å²	ChemAxon
Rotatable Bond Count	8	ChemAxon
Refractivity	80.92 m³·mol⁻¹	ChemAxon
Polarizability	32.17 Å³	ChemAxon
Number of Rings	1	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

HMDB0029840

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

KNApSAcK ID

Chemspider ID

KEGG Compound ID

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

22524619

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Not Available

Showing NP-Card for Vulgaxanthin I (NP0045467)

MOL for NP0045467 (Vulgaxanthin I)

3D MOL for NP0045467 (Vulgaxanthin I)

3D SDF for NP0045467 (Vulgaxanthin I)

3D-SDF for NP0045467 (Vulgaxanthin I)

PDB for NP0045467 (Vulgaxanthin I)

3D PDB for NP0045467 (Vulgaxanthin I)

SMILES for NP0045467 (Vulgaxanthin I)

INCHI for NP0045467 (Vulgaxanthin I)

Structure for NP0045467 (Vulgaxanthin I)

3D Structure for NP0045467 (Vulgaxanthin I)