CHEBI:37035 - 3-hydroxyhexanoic acid

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ChEBI Name 3-hydroxyhexanoic acid
ChEBI ID CHEBI:37035
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C6H12O3
Net Charge 0
Average Mass 132.15768
Monoisotopic Mass 132.07864
InChI InChI=1S/C6H12O3/c1-2-3-5(7)4-6(8)9/h5,7H,2-4H2,1H3,(H,8,9)
InChIKey HPMGFDVTYHWBAG-UHFFFAOYSA-N
SMILES CCCC(O)CC(O)=O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing 3-hydroxyhexanoic acid (CHEBI:37035) is a 3-hydroxy monocarboxylic acid (CHEBI:35969)
3-hydroxyhexanoic acid (CHEBI:37035) is conjugate acid of 3-hydroxyhexanoate (CHEBI:20070)
Incoming ethyl 3-hydroxyhexanoate (CHEBI:23997) has functional parent 3-hydroxyhexanoic acid (CHEBI:37035)
(S)-3-hydroxyhexanoic acid (CHEBI:37049) is a 3-hydroxyhexanoic acid (CHEBI:37035)
3-hydroxyhexanoate (CHEBI:20070) is conjugate base of 3-hydroxyhexanoic acid (CHEBI:37035)
Synonym Source
3-Hydroxycaproic acid ChemIDplus
Manual Xref Database
LMFA01050012 LIPID MAPS
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Registry Numbers Types Sources
10191-24-9 CAS Registry Number ChemIDplus
1721818 Beilstein Registry Number Beilstein
Last Modified
02 February 2015