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CHEBI:37098 - 3-hydroxyoctanoic acid

ChEBI IDCHEBI:37098
ChEBI Name3-hydroxyoctanoic acid
Stars
DefinitionAn 8-carbon, β-hydroxy fatty acid which may be a marker for primary defects of β-hydroxy fatty acid metabolism. Repeating unit of poly(3-hydroxyoctanoic acid), a biopolymer used by numerous bacterial species as carbon and energy reserves.
Last Modified29 September 2016
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC8H16O3
Net Charge0
Average Mass160.213
Monoisotopic Mass160.10994
SMILESCCCCCC(O)CC(=O)O
InChIInChI=1S/C8H16O3/c1-2-3-4-5-7(9)6-8(10)11/h7,9H,2-6H2,1H3,(H,10,11)
InChIKeyNDPLAKGOSZHTPH-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)
3-hydroxyoctanoic acid (CHEBI:37098) has functional parent octanoic acid (CHEBI:28837)
3-hydroxyoctanoic acid (CHEBI:37098) is a 3-hydroxy fatty acid (CHEBI:59845)
3-hydroxyoctanoic acid (CHEBI:37098) is a 3-hydroxy monocarboxylic acid (CHEBI:35969)
3-hydroxyoctanoic acid (CHEBI:37098) is a medium-chain fatty acid (CHEBI:59554)
3-hydroxyoctanoic acid (CHEBI:37098) is conjugate acid of 3-hydroxyoctanoate (CHEBI:133511)
Incoming Relation(s)
3-hydroxyoctanoyl-CoA (CHEBI:86321) has functional parent 3-hydroxyoctanoic acid (CHEBI:37098)
(R)-3-hydroxyoctanoic acid (CHEBI:37099) is a 3-hydroxyoctanoic acid (CHEBI:37098)
(S)-3-hydroxyoctanoic acid (CHEBI:37100) is a 3-hydroxyoctanoic acid (CHEBI:37098)
3-hydroxyoctanoate (CHEBI:133511) is conjugate base of 3-hydroxyoctanoic acid (CHEBI:37098)
IUPAC Name 
3-hydroxyoctanoic acid
Synonyms  Source
3-OH-caprylic acidChEBI
3-OH octanoic acidChEBI
β-hydroxycaprylic acidChEBI
β-hydroxyoctanoic acidChEBI
β-OH-octanoic acidChEBI
3-hydroxy-octanoic acidChEBI
Manual XrefsDatabases
LMFA01050021LIPID MAPS
Registry NumbersSources
Beilstein:1760767Beilstein
CAS:14292-27-4ChemIDplus
Citations