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CHEBI:79383 - 2-hydroxy-3-carboxy-6-oxo-7-methylocta-2,4-dienoic acid

ChEBI IDCHEBI:79383
ChEBI Name2-hydroxy-3-carboxy-6-oxo-7-methylocta-2,4-dienoic acid
Stars
DefinitionAn oxo dicarboxylic acid that is 3-carboxy-6-oxoocta-2,4-dienoic acid carrying additional hydroxy and methyl substituents at positions 2 and 7 respectively.
Last Modified24 July 2014
SubmitterSteve
DownloadsMolfile
FormulaC10H12O6
Net Charge0
Average Mass228.200
Monoisotopic Mass228.06339
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)/b4-3-,8-6-
InChIKeyQIADQBIXDULDTJ-XYMCEGRYSA-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)
2-hydroxy-3-carboxy-6-oxo-7-methylocta-2,4-dienoic acid (CHEBI:79383) is a 2-hydroxy carboxylic acid (CHEBI:52618)
2-hydroxy-3-carboxy-6-oxo-7-methylocta-2,4-dienoic acid (CHEBI:79383) is a olefinic compound (CHEBI:78840)
2-hydroxy-3-carboxy-6-oxo-7-methylocta-2,4-dienoic acid (CHEBI:79383) is a oxo dicarboxylic acid (CHEBI:36145)
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)
Incoming Relation(s)
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)
IUPAC Name 
(2Z)-2-hydroxy-3-[(1Z)-4-methyl-3-oxopent-1-en-1-yl]but-2-enedioic acid
Manual XrefsDatabases
C06581KEGG COMPOUND
CPD-1007MetaCyc