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Details

Stereochemistry ABSOLUTE
Molecular Formula C14H17N3O7
Molecular Weight 339.3007
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of VULGAXANTHIN-I

SMILES

NC(=O)CC[C@H](\N=C\C=C1/C[C@H](NC(=C1)C(O)=O)C(O)=O)C(O)=O

InChI

InChIKey=PDBJJFJKNSKTSW-GZAMJYMESA-N
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+/t8-,10-/m0/s1

HIDE SMILES / InChI

Molecular Formula C14H17N3O7
Molecular Weight 339.3007
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 20:05:27 GMT 2023
Edited
by admin
on Fri Dec 15 20:05:27 GMT 2023
Record UNII
37AJD0527U
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
VULGAXANTHIN-I
Common Name English
2,6-PYRIDINEDICARBOXYLIC ACID, 4-(((4-AMINO-1-CARBOXY-4-OXOBUTYL)IMINO)ETHYLIDENE)-1,2,3,4-TETRAHYDRO-
Common Name English
2,6-PYRIDINEDICARBOXYLIC ACID, 4-((((1S)-4-AMINO-1-CARBOXY-4-OXOBUTYL)IMINO)ETHYLIDENE)-1,2,3,4-TETRAHYDRO-, (2S,4E)-
Common Name English
VULGAXANTIN I
Common Name English
GLUTAMINE-BETAXANTHIN
Common Name English
2,6-PYRIDINEDICARBOXYLIC ACID, 4-((N-(3-CARBAMOYL-1-CARBOXYPROPYL)FORMIMIDOYL)METHYLENE)-1,2,3,4-TETRAHYDRO-
Common Name English
2,6-PYRIDINEDICARBOXYLIC ACID, 4-(2-(((1S)-4-AMINO-1-CARBOXY-4-OXOBUTYL)IMINO)ETHYLIDENE)-1,2,3,4-TETRAHYDRO-, (2S,4E)-
Common Name English
VULGAXANTHIN I
Common Name English
Code System Code Type Description
FDA UNII
37AJD0527U
Created by admin on Fri Dec 15 20:05:27 GMT 2023 , Edited by admin on Fri Dec 15 20:05:27 GMT 2023
PRIMARY
EPA CompTox
DTXSID201317383
Created by admin on Fri Dec 15 20:05:27 GMT 2023 , Edited by admin on Fri Dec 15 20:05:27 GMT 2023
PRIMARY
CAS
904-62-1
Created by admin on Fri Dec 15 20:05:27 GMT 2023 , Edited by admin on Fri Dec 15 20:05:27 GMT 2023
PRIMARY