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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:76980 - 2-hydroxybehenic acid
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ChEBI Name
2-hydroxybehenic acid
ChEBI ID
CHEBI:76980
Definition
A long-chain fatty acid that is behenic (docosanoic) acid substituted at position 2 by a hydroxy group.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C22H44O3
Net Charge
0
Average Mass
356.58300
Monoisotopic Mass
356.32905
InChI
InChI=1S/C22H44O3/c1-
2-
3-
4-
5-
6-
7-
8-
9-
10-
11-
12-
13-
14-
15-
16-
17-
18-
19-
20-
21(23)
22(24)
25/h21,23H,2-
20H2,1H3,(H,24,25)
InChIKey
RPGJJWLCCOPDAZ-UHFFFAOYSA-N
SMILES
CCCCCCCCCCCCCCCCCCCCC(O)C(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):
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
2-hydroxybehenic acid (
CHEBI:76980
)
has functional parent
docosanoic acid (
CHEBI:28941
)
2-hydroxybehenic acid (
CHEBI:76980
)
has role
metabolite (
CHEBI:25212
)
2-hydroxybehenic acid (
CHEBI:76980
)
is a
2-hydroxy fatty acid (
CHEBI:10283
)
2-hydroxybehenic acid (
CHEBI:76980
)
is a
long-chain fatty acid (
CHEBI:15904
)
2-hydroxybehenic acid (
CHEBI:76980
)
is conjugate acid of
2-hydroxybehenate (
CHEBI:76722
)
Incoming
N
-(2-hydroxybehenoyl)-
D
-galactosylsphingosine (
CHEBI:83869
)
has functional parent
2-hydroxybehenic acid (
CHEBI:76980
)
2-hydroxybehenate (
CHEBI:76722
)
is conjugate base of
2-hydroxybehenic acid (
CHEBI:76980
)
IUPAC Name
2-hydroxydocosanoic acid
Synonyms
Sources
2-hydroxy-22:0 fatty acid
MetaCyc
α-hydroxybehenic acid
ChEBI
α-hydroxydocosanoic acid
ChEBI
Manual Xrefs
Databases
CPD-9780
MetaCyc
LMFA01050077
LIPID MAPS
View more database links
Registry Numbers
Types
Sources
13980-14-8
CAS Registry Number
ChemIDplus
1728545
Reaxys Registry Number
Reaxys
Citations
Types
Sources
16667981
PubMed citation
Europe PMC
23737455
PubMed citation
Europe PMC
Last Modified
12 February 2015