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CHEBI:28977 - 2-hydroxy-3-carboxylato-6-oxo-7-methylocta-2,4-dienoate

ChEBI IDCHEBI:28977
ChEBI Name2-hydroxy-3-carboxylato-6-oxo-7-methylocta-2,4-dienoate
Stars
DefinitionA hydroxy monocarboxylic acid anion obtained by deprotonation of the carboxy groups of 2-hydroxy-3-carboxy-6-oxo-7-methylocta-2,4-dienoic acid; major species at pH 7.3.
Secondary ChEBI IDsCHEBI:1120, CHEBI:19601
Last Modified8 August 2014
DownloadsMolfile
FormulaC10H10O6
Net Charge-2
Average Mass226.184
Monoisotopic Mass226.04884
SMILESCC(C)C(=O)/C=C\C(C(=O)[O-])=C(\O)C(=O)[O-]
InChIInChI=1S/C10H12O6/c1-5(2)7(11)4-3-6(9(13)14)8(12)10(15)16/h3-5,12H,1-2H3,(H,13,14)(H,15,16)/p-2/b4-3-,8-6-
InChIKeyQIADQBIXDULDTJ-XYMCEGRYSA-L
ChEBI Ontology
Outgoing Relation(s)
2-hydroxy-3-carboxylato-6-oxo-7-methylocta-2,4-dienoate (CHEBI:28977) has functional parent octa-2,4-dienoate (CHEBI:36061)
2-hydroxy-3-carboxylato-6-oxo-7-methylocta-2,4-dienoate (CHEBI:28977) is a dicarboxylic acid dianion (CHEBI:28965)
2-hydroxy-3-carboxylato-6-oxo-7-methylocta-2,4-dienoate (CHEBI:28977) is conjugate base of 2-hydroxy-3-carboxy-6-oxo-7-methylocta-2,4-dienoic acid (CHEBI:79383)
Incoming Relation(s)
2-hydroxy-3-carboxy-6-oxo-7-methylocta-2,4-dienoic acid (CHEBI:79383) is conjugate acid of 2-hydroxy-3-carboxylato-6-oxo-7-methylocta-2,4-dienoate (CHEBI:28977)
IUPAC Name 
(2Z)-2-hydroxy-3-[(1Z)-4-methyl-3-oxopent-1-en-1-yl]but-2-enedioate
UniProt Name  Source
3-carboxy-2-hydroxy-7-methyl-6-oxo-(2Z,4Z)-octadienoateUniProt
Manual XrefsDatabases
CPD-1007MetaCyc