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

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ChEBI Name 6-hydroxy-3-isopropenylheptanoic acid
ChEBI ID CHEBI:50452
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C10H18O3
Net Charge 0
Average Mass 186.24812
Monoisotopic Mass 186.12559
InChI InChI=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)
InChIKey NQYDFAGFKCSWGI-UHFFFAOYSA-N
SMILES CC(O)CCC(CC(O)=O)C(C)=C
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 (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 Sources
6-hydroxy-3-(1-methylethenyl)enanthic acid ChEBI
6-hydroxy-3-(1-methylethenyl)heptanoic acid IUPAC
6-hydroxy-3-isopropenylenanthic acid ChEBI
Manual Xref Database
LMFA01050371 LIPID MAPS
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Last Modified
20 March 2012