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isochorismate(2−) (CHEBI:29780)

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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
See structure as:  Image  Applet
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Formula Source
C10H8O6 ChEBI
Net Charge -2
Average Mass 224.16692
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
Synonym Source
Isochorismate KEGG COMPOUND
Database Links Databases
C00885 KEGG COMPOUND
DB02793 DrugBank
View more database links
Registry Number Type Source
8334070 Beilstein Registry Number Beilstein
Last Modified
02 May 2008

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