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CHEBI:76980 - 2-hydroxybehenic acid

ChEBI IDCHEBI:76980
ChEBI Name2-hydroxybehenic acid
Stars
DefinitionA long-chain fatty acid that is behenic (docosanoic) acid substituted at position 2 by a hydroxy group.
Last Modified12 February 2015
SubmitterSteve
DownloadsMolfile
FormulaC22H44O3
Net Charge0
Average Mass356.591
Monoisotopic Mass356.32905
SMILESCCCCCCCCCCCCCCCCCCCCC(O)C(=O)O
InChIInChI=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)
InChIKeyRPGJJWLCCOPDAZ-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
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  Source
2-hydroxy-22:0 fatty acidMetaCyc
α-hydroxybehenic acidChEBI
α-hydroxydocosanoic acidChEBI
Manual XrefsDatabases
CPD-9780MetaCyc
LMFA01050077LIPID MAPS
Registry NumbersSources
Reaxys:1728545Reaxys
CAS:13980-14-8ChemIDplus
Citations