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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:131434 - 5-hydroxyhexanoic acid
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ChEBI Name
5-hydroxyhexanoic acid
ChEBI ID
CHEBI:131434
Definition
A medium-chain fatty acid that is hexanoic acid substituted at position 5 by a hydroxy group.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C6H12O3
Net Charge
0
Average Mass
132.158
Monoisotopic Mass
132.07864
InChI
InChI=1S/C6H12O3/c1-5(7)3-2-4-6(8)9/h5,7H,2-4H2,1H3,(H,8,9)
InChIKey
YDCRNMJQROAWFT-UHFFFAOYSA-N
SMILES
OC(CCCC(=O)O)C
Metabolite of Species
Details
Homo sapiens
(NCBI:txid9606)
See:
PubMed
Homo sapiens
(NCBI:txid9606)
See:
MetaboLights Study
Homo sapiens
(NCBI:txid9606)
See:
PubMed
Roles Classification
Chemical Role
(s):
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Br
o
nsted base).
(via
oxoacid
)
Biological Role
(s):
human urinary metabolite
Any metabolite (endogenous or exogenous) found in human urine samples.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
5-hydroxyhexanoic acid (
CHEBI:131434
)
has functional parent
hexanoic acid (
CHEBI:30776
)
5-hydroxyhexanoic acid (
CHEBI:131434
)
has role
human urinary metabolite (
CHEBI:84087
)
5-hydroxyhexanoic acid (
CHEBI:131434
)
is a
(ω−1)-hydroxy fatty acid (
CHEBI:78954
)
5-hydroxyhexanoic acid (
CHEBI:131434
)
is a
medium-chain fatty acid (
CHEBI:59554
)
5-hydroxyhexanoic acid (
CHEBI:131434
)
is conjugate acid of
5-hydroxyhexanoate (
CHEBI:132985
)
Incoming
5-hydroxyhexanoate (
CHEBI:132985
)
is conjugate base of
5-hydroxyhexanoic acid (
CHEBI:131434
)
IUPAC Name
5-hydroxyhexanoic acid
Synonyms
Sources
5-hydroxy caproic acid
LIPID MAPS
5-hydroxy-hexanoic acid
LIPID MAPS
5-hydroxycaproic acid
ChEBI
5-OH-caproic acid
HMDB
Manual Xrefs
Databases
149280
ChemSpider
HMDB0000525
HMDB
LMFA01050014
LIPID MAPS
View more database links
Registry Numbers
Types
Sources
1749065
Reaxys Registry Number
Reaxys
44843-89-2
CAS Registry Number
ChemIDplus
Citations
Types
Sources
575058
PubMed citation
Europe PMC
640132
PubMed citation
Europe PMC
6897376
PubMed citation
Europe PMC
Last Modified
14 November 2016