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CHEBI:29780 - isochorismate(2−)

ChEBI IDCHEBI:29780
ChEBI Nameisochorismate(2−)
Stars
ASCII Nameisochorismate(2-)
Last Modified10 July 2015
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC10H8O6
Net Charge-2
Average Mass224.168
Monoisotopic Mass224.03319
SMILESC=C(O[C@H]1C=CC=C(C(=O)[O-])[C@@H]1O)C(=O)[O-]
InChIInChI=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
InChIKeyNTGWPRCCOQCMGE-YUMQZZPRSA-L
ChEBI Ontology
Outgoing Relation(s)
isochorismate(2−) (CHEBI:29780) is a dicarboxylic acid dianion (CHEBI:28965)
isochorismate(2−) (CHEBI:29780) is conjugate base of isochorismic acid (CHEBI:17582)
Incoming Relation(s)
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
Synonym  Source
IsochorismateKEGG COMPOUND
UniProt Name  Source
isochorismateUniProt
Manual XrefsDatabases
C00885KEGG COMPOUND
DB02793DrugBank
Registry NumbersSources
Beilstein:8334070Beilstein