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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:86542 - 2-hydroxyhexanoic acid
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ChEBI Name
2-hydroxyhexanoic acid
ChEBI ID
CHEBI:86542
Definition
A hydroxy fatty acid that is caproic (hexanoic) acid substituted by a hydroxy group at position 2.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C6H12O3
Net Charge
0
Average Mass
132.15770
Monoisotopic Mass
132.07864
InChI
InChI=1S/C6H12O3/c1-2-3-4-5(7)6(8)9/h5,7H,2-4H2,1H3,(H,8,9)
InChIKey
NYHNVHGFPZAZGA-UHFFFAOYSA-N
SMILES
CCCCC(O)C(O)=O
Metabolite of Species
Details
Rhincodon typus
(NCBI:txid259920)
Found in sap
(NCIM:C79665)
. 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):
animal metabolite
Any eukaryotic metabolite produced during a metabolic reaction in animals that include diverse creatures from sponges, insects to mammals.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
2-hydroxyhexanoic acid (
CHEBI:86542
)
has functional parent
hexanoic acid (
CHEBI:30776
)
2-hydroxyhexanoic acid (
CHEBI:86542
)
has role
animal metabolite (
CHEBI:75767
)
2-hydroxyhexanoic acid (
CHEBI:86542
)
is a
hydroxy fatty acid (
CHEBI:24654
)
2-hydroxyhexanoic acid (
CHEBI:86542
)
is conjugate acid of
2-hydroxyhexanoate (
CHEBI:133738
)
Incoming
2-hydroxyhexanoyl-CoA (
CHEBI:139304
)
has functional parent
2-hydroxyhexanoic acid (
CHEBI:86542
)
2-hydroxyhexanoate (
CHEBI:133738
)
is conjugate base of
2-hydroxyhexanoic acid (
CHEBI:86542
)
IUPAC Name
2-hydroxyhexanoic acid
Synonym
Source
2-hydroxycaproic acid
ChEBI
Manual Xrefs
Databases
HMDB0001624
HMDB
LMFA01050011
LIPID MAPS
View more database links
Registry Numbers
Types
Sources
1721752
Reaxys Registry Number
Reaxys
6064-63-7
CAS Registry Number
ChemIDplus
Citation
Type
Source
23166652
PubMed citation
Europe PMC
Last Modified
14 December 2017