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CHEBI:1277 - (1S,6R)-2-succinyl-6-hydroxycyclohexa-2,4-diene-1-carboxylic acid

ChEBI IDCHEBI:1277
ChEBI Name(1S,6R)-2-succinyl-6-hydroxycyclohexa-2,4-diene-1-carboxylic acid
Stars
ASCII Name(1S,6R)-2-succinyl-6-hydroxycyclohexa-2,4-diene-1-carboxylic acid
DefinitionThe (1S,6R)-stereoisomer of 2-succinyl-6-hydroxycyclohexa-2,4-diene-1-carboxylic acid.
Last Modified30 January 2015
DownloadsMolfile
FormulaC11H12O6
Net Charge0
Average Mass240.211
Monoisotopic Mass240.06339
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)/t8-,10+/m1/s1
InChIKeyQJYRAJSESKVEAE-SCZZXKLOSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
(1S,6R)-2-succinyl-6-hydroxycyclohexa-2,4-diene-1-carboxylic acid (CHEBI:1277) is a 2-succinyl-6-hydroxycyclohexa-2,4-diene-1-carboxylic acid (CHEBI:11656)
(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)
Incoming Relation(s)
(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)
IUPAC Name 
(1S,6R)-2-(3-carboxypropanoyl)-6-hydroxycyclohexa-2,4-diene-1-carboxylic acid