CHEBI:76980 - 2-hydroxybehenic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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.
Supplier Information
Download Molfile XML SDF
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 (Bronsted 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 Waiting for Citations Types Sources
16667981 PubMed citation Europe PMC
23737455 PubMed citation Europe PMC
Last Modified
12 February 2015