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CHEBI:50452 - 6-hydroxy-3-isopropenylheptanoic acid

ChEBI IDCHEBI:50452
ChEBI Name6-hydroxy-3-isopropenylheptanoic acid
Stars
DefinitionA branched-chain hydroxy fatty acid consisting of heptanoic acid with an isopropenyl group at the 3-position and the hydroxy group at the 6-position.
Last Modified20 March 2012
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC10H18O3
Net Charge0
Average Mass186.251
Monoisotopic Mass186.12559
SMILESC=C(C)C(CCC(C)O)CC(=O)O
InChIInChI=1S/C10H18O3/c1-7(2)9(6-10(12)13)5-4-8(3)11/h8-9,11H,1,4-6H2,2-3H3,(H,12,13)
InChIKeyNQYDFAGFKCSWGI-UHFFFAOYSA-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)
6-hydroxy-3-isopropenylheptanoic acid (CHEBI:50452) is a branched-chain fatty acid (CHEBI:35819)
6-hydroxy-3-isopropenylheptanoic acid (CHEBI:50452) is a hydroxy fatty acid (CHEBI:24654)
6-hydroxy-3-isopropenylheptanoic acid (CHEBI:50452) is a medium-chain fatty acid (CHEBI:59554)
6-hydroxy-3-isopropenylheptanoic acid (CHEBI:50452) is conjugate acid of 6-hydroxy-3-isopropenylheptanoate (CHEBI:64224)
Incoming Relation(s)
(3R,6R)-6-hydroxy-3-isopropenylheptanoic acid (CHEBI:64247) is a 6-hydroxy-3-isopropenylheptanoic acid (CHEBI:50452)
(3S,6R)-6-hydroxy-3-isopropenylheptanoic acid (CHEBI:64249) is a 6-hydroxy-3-isopropenylheptanoic acid (CHEBI:50452)
6-hydroxy-3-isopropenylheptanoate (CHEBI:64224) is conjugate base of 6-hydroxy-3-isopropenylheptanoic acid (CHEBI:50452)
IUPAC Name 
6-hydroxy-3-(prop-1-en-2-yl)heptanoic acid
Synonyms  Source
6-hydroxy-3-(1-methylethenyl)heptanoic acidIUPAC
6-hydroxy-3-isopropenylenanthic acidChEBI
6-hydroxy-3-(1-methylethenyl)enanthic acidChEBI
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