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 224.03319
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
Manual Xrefs Databases
C00885 KEGG COMPOUND
DB02793 DrugBank
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Registry Number Type Source
8334070 Beilstein Registry Number Beilstein
Last Modified
10 July 2015