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CHEBI:86543 - 2-hydroxyoctanoic acid

Default Structure
ChEBI IDCHEBI:86543
ChEBI Name2-hydroxyoctanoic acid
Stars
DefinitionA hydroxy fatty acid that is caprylic (octanoic) acid substituted by a hydroxy group at position 2.
Last Modified7 November 2017
DownloadsMolfile
FormulaC8H16O3
Net Charge0
Average Mass160.213
Monoisotopic Mass160.10994
SMILESCCCCCCC(O)C(=O)O
InChIInChI=1S/C8H16O3/c1-2-3-4-5-6-7(9)8(10)11/h7,9H,2-6H2,1H3,(H,10,11)
InChIKeyJKRDADVRIYVCCY-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)
2-hydroxyoctanoic acid (CHEBI:86543) has functional parent octanoic acid (CHEBI:28837)
2-hydroxyoctanoic acid (CHEBI:86543) is a hydroxy fatty acid (CHEBI:24654)
2-hydroxyoctanoic acid (CHEBI:86543) is conjugate acid of 2-hydroxyoctanoate (CHEBI:133514)
Incoming Relation(s)
2-hydroxyoctanoyl-CoA (CHEBI:138941) has functional parent 2-hydroxyoctanoic acid (CHEBI:86543)
2-hydroxyoctanoate (CHEBI:133514) is conjugate base of 2-hydroxyoctanoic acid (CHEBI:86543)
IUPAC Name 
2-hydroxyoctanoic acid
Synonyms  Source
2-hydroxycaprylic acidChEBI
α-hydroxyoctanoic acidChEBI
Manual XrefsDatabases
LMFA01050020LIPID MAPS
Registry NumbersSources
Reaxys:1760638Reaxys
CAS:617-73-2ChemIDplus
Citations