Terminology Service for NFDI4Health
JSON

vibrioferrin(3-)

Go to external page http://purl.obolibrary.org/obo/CHEBI_84630

A tricarboxylic acid trianion resulting from the deprotonation of all three carboxy groups of vibrioferrin. The major species at pH 7.3.

Term info

Label

vibrioferrin(3-)

Synonyms
  • (2R)-2-[2-(2-{[(2S)-2-(2-carboxylato-2-hydroxy-5-oxopyrrolidin-1-yl)propanoyl]amino}ethoxy)-2-oxoethyl]-2-hydroxysuccinate
Subsets

3_STAR

IUPAC NAME
(2R)-2-[2-(2-{[(2S)-2-(2-carboxylato-2-hydroxy-5-oxopyrrolidin-1-yl)propanoyl]amino}ethoxy)-2-oxoethyl]-2-hydroxysuccinate [ IUPAC ]

charge

-3

formula

C16H19N2O12

has obo namespace

chebi_ontology

id

CHEBI:84630

inchi

InChI=1S/C16H22N2O12/c1-8(18-9(19)2-3-16(18,29)14(26)27)12(23)17-4-5-30-11(22)7-15(28,13(24)25)6-10(20)21/h8,28-29H,2-7H2,1H3,(H,17,23)(H,20,21)(H,24,25)(H,26,27)/p-3/t8-,15+,16?/m0/s1

inchikey

IGQXNKDXMPSELX-BIAKFKOBSA-K

mass

431.32990

monoisotopicmass

431.09544

smiles

C[C@H](N1C(=O)CCC1(O)C([O-])=O)C(=O)NCCOC(=O)C[C@](O)(CC([O-])=O)C([O-])=O