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CHEBI:29780 - isochorismate(2−)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name isochorismate(2−)
ChEBI ID CHEBI:29780
ChEBI ASCII Name isochorismate(2-)
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C10H8O6
Net Charge -2
Average Mass 224.16692
Monoisotopic Mass 224.032
InChI InChI=1S/C10H10O6/c1-5(9(12)13)16-7-4-2-3-6(8(7)11)10(14)15/h2-4,7-8,11H,1H2,(H,12,13)(H,14,15)/p-2/t7-,8-/m0/s1
InChIKey NTGWPRCCOQCMGE-YUMQZZPRSA-L
SMILES O[C@@H]1[C@@H](OC(=C)C([O-])=O)C=CC=C1C([O-])=O
ChEBI Ontology
Outgoing isochorismate(2−) (CHEBI:29780) is a dicarboxylic acid dianion (CHEBI:28965)
isochorismate(2−) (CHEBI:29780) is conjugate base of isochorismic acid (CHEBI:17582)
Incoming isochorismic acid (CHEBI:17582) is conjugate acid of isochorismate(2−) (CHEBI:29780)
IUPAC Name
(5S,6S)-5-[(1-carboxylatoethenyl)oxy]-6-hydroxycyclohexa-1,3-diene-1-carboxylate
Synonyms Sources
Isochorismate KEGG COMPOUND
isochorismate UniProt
Database Links Databases
C00885 KEGG COMPOUND
DB02793 DrugBank
View more database links
Registry Number Type Source
8334070 Beilstein Registry Number Beilstein
Last Modified
10 July 2015