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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:17869 - 6-hydroxyhexanoic acid
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ChEBI Name
6-hydroxyhexanoic acid
ChEBI ID
CHEBI:17869
Definition
An ω-hydroxy fatty acid comprising hexanoic acid having a hydroxy group at the 6-position.
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:2191
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Formula
C6H12O3
Net Charge
0
Average Mass
132.15768
Monoisotopic Mass
132.07864
InChI
InChI=1S/C6H12O3/c7-5-3-1-2-4-6(8)9/h7H,1-5H2,(H,8,9)
InChIKey
IWHLYPDWHHPVAA-UHFFFAOYSA-N
SMILES
OCCCCCC(O)=O
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):
bacterial xenobiotic metabolite
Any bacterial metabolite produced by metabolism of a xenobiotic compound in bacteria.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
6-hydroxyhexanoic acid (
CHEBI:17869
)
has functional parent
hexanoic acid (
CHEBI:30776
)
6-hydroxyhexanoic acid (
CHEBI:17869
)
has role
bacterial xenobiotic metabolite (
CHEBI:76976
)
6-hydroxyhexanoic acid (
CHEBI:17869
)
is a
ω-hydroxy-medium-chain fatty acid (
CHEBI:194303
)
6-hydroxyhexanoic acid (
CHEBI:17869
)
is a
6-hydroxy monocarboxylic acid (
CHEBI:35971
)
6-hydroxyhexanoic acid (
CHEBI:17869
)
is a
straight-chain fatty acid (
CHEBI:59202
)
6-hydroxyhexanoic acid (
CHEBI:17869
)
is conjugate acid of
6-hydroxyhexanoate (
CHEBI:32383
)
Incoming
oscr#12 (
CHEBI:79135
)
has functional parent
6-hydroxyhexanoic acid (
CHEBI:17869
)
6-hydroxyhexanoate (
CHEBI:32383
)
is conjugate base of
6-hydroxyhexanoic acid (
CHEBI:17869
)
IUPAC Name
6-hydroxyhexanoic acid
Synonyms
Sources
5-carboxypentanol
ChEBI
5-hydroxypentanecarboxylic acid
ChEBI
6-hydroxy caproic acid
LIPID MAPS
6-hydroxycaproic acid
NIST Chemistry WebBook
6-Hydroxyhexanoate
KEGG COMPOUND
6-Hydroxyhexanoic acid
KEGG COMPOUND
ε-hydroxycaproic acid
ChemIDplus
ε-hydroxyhexanoic acid
ChEBI
Manual Xrefs
Databases
C06103
KEGG COMPOUND
HMDB0012843
HMDB
LMFA01050015
LIPID MAPS
View more database links
Registry Numbers
Types
Sources
1191-25-9
CAS Registry Number
ChemIDplus
1191-25-9
CAS Registry Number
NIST Chemistry WebBook
1236785
Beilstein Registry Number
Beilstein
1236785
Reaxys Registry Number
Reaxys
Citations
Types
Sources
14698179
PubMed citation
Europe PMC
6630146
PubMed citation
Europe PMC
Last Modified
24 January 2023