3-hydroxy-3-methylhexanoic acid (CHEBI:143885)

ChEBI > Main

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name	3-hydroxy-3-methylhexanoic acid

ChEBI ID	CHEBI:143885

Definition	A 3-hydroxy monocarboxylic acid that is hexanoic acid substituted by a hydroxy group and a methyl group at position 3. It is a metabolite found in human sweat.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

more structures >>

Formula

C7H14O3

Net Charge

Average Mass

146.186

Monoisotopic Mass

146.09429

InChI

InChI=1S/C7H14O3/c1-3-4-7(2,10)5-6(8)9/h10H,3-5H2,1-2H3,(H,8,9)

InChIKey

RGRNSTGIHROKJB-UHFFFAOYSA-N

SMILES

CCCC(CC(O)=O)(C)O

Roles Classification
Chemical Role(s):	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

Biological Role(s):	human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).

ChEBI Ontology
Outgoing	3-hydroxy-3-methylhexanoic acid (CHEBI:143885) has role human metabolite (CHEBI:77746) 3-hydroxy-3-methylhexanoic acid (CHEBI:143885) is a 3-hydroxy monocarboxylic acid (CHEBI:35969) 3-hydroxy-3-methylhexanoic acid (CHEBI:143885) is a volatile organic compound (CHEBI:134179) 3-hydroxy-3-methylhexanoic acid (CHEBI:143885) is conjugate acid of 3-hydroxy-3-methylhexanoate (CHEBI:143555)

Incoming	N²-(3-hydroxy-3-methylhexanoyl)-L-glutamine (CHEBI:145323) has functional parent 3-hydroxy-3-methylhexanoic acid (CHEBI:143885) 3-hydroxy-3-methylhexanoate (CHEBI:143555) is conjugate base of 3-hydroxy-3-methylhexanoic acid (CHEBI:143885)

IUPAC Name

3-hydroxy-3-methylhexanoic acid

Synonyms	Sources
3-hydroxy-3-methylcaproic acid	ChEBI
3-hydroxy-3-methylhexanoic acid	ChEBI

Registry Number	Type	Source
58888-76-9	CAS Registry Number	ChEBI

Last Modified

07 November 2019