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CHEBI:57272 - (1S,6R)-2-(3-carboxylatopropanoyl)-6-hydroxycyclohexa-2,4-diene-1-carboxylate(2−)

ChEBI IDCHEBI:57272
ChEBI Name(1S,6R)-2-(3-carboxylatopropanoyl)-6-hydroxycyclohexa-2,4-diene-1-carboxylate(2−)
Stars
ASCII Name(1S,6R)-2-(3-carboxylatopropanoyl)-6-hydroxycyclohexa-2,4-diene-1-carboxylate(2-)
DefinitionDicarboxylate anion of (1S,6R)-2-succinyl-6-hydroxycyclohexa-2,4-diene-1-carboxylic acid.
Last Modified7 April 2010
DownloadsMolfile
FormulaC11H10O6
Net Charge-2
Average Mass238.195
Monoisotopic Mass238.04884
SMILESO=C([O-])CCC(=O)C1=CC=C[C@@H](O)[C@H]1C(=O)[O-]
InChIInChI=1S/C11H12O6/c12-7(4-5-9(14)15)6-2-1-3-8(13)10(6)11(16)17/h1-3,8,10,13H,4-5H2,(H,14,15)(H,16,17)/p-2/t8-,10+/m1/s1
InChIKeyQJYRAJSESKVEAE-SCZZXKLOSA-L
ChEBI Ontology
Outgoing Relation(s)
(1S,6R)-2-(3-carboxylatopropanoyl)-6-hydroxycyclohexa-2,4-diene-1-carboxylate(2−) (CHEBI:57272) is a dicarboxylic acid dianion (CHEBI:28965)
(1S,6R)-2-(3-carboxylatopropanoyl)-6-hydroxycyclohexa-2,4-diene-1-carboxylate(2−) (CHEBI:57272) is conjugate base of (1S,6R)-2-succinyl-6-hydroxycyclohexa-2,4-diene-1-carboxylic acid (CHEBI:1277)
Incoming Relation(s)
(1S,6R)-2-succinyl-6-hydroxycyclohexa-2,4-diene-1-carboxylic acid (CHEBI:1277) is conjugate acid of (1S,6R)-2-(3-carboxylatopropanoyl)-6-hydroxycyclohexa-2,4-diene-1-carboxylate(2−) (CHEBI:57272)
IUPAC Name 
(1S,6R)-2-(3-carboxylatopropanoyl)-6-hydroxycyclohexa-2,4-diene-1-carboxylate