EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:79254 - (3R,21R)-3,21-dihydroxybehenic acid

ChEBI IDCHEBI:79254
ChEBI Name(3R,21R)-3,21-dihydroxybehenic acid
Stars
ASCII Name(3R,21R)-3,21-dihydroxybehenic acid
DefinitionA dihydroxy monocarboxylic acid that is behenic acid (docosanoic acid) in which the pro-R hydrogens at positions 3 and 21 are replaced by hydroxy groups.
Last Modified17 July 2014
SubmitterGareth Owen
DownloadsMolfile
FormulaC22H44O4
Net Charge0
Average Mass372.590
Monoisotopic Mass372.32396
SMILESC[C@@H](O)CCCCCCCCCCCCCCCCC[C@@H](O)CC(=O)O
InChIInChI=1S/C22H44O4/c1-20(23)17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-21(24)19-22(25)26/h20-21,23-24H,2-19H2,1H3,(H,25,26)/t20-,21-/m1/s1
InChIKeyYCCJQVHLPJDRDY-NHCUHLMSSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
(3R,21R)-3,21-dihydroxybehenic acid (CHEBI:79254) has functional parent docosanoic acid (CHEBI:28941)
(3R,21R)-3,21-dihydroxybehenic acid (CHEBI:79254) is a (ω−1)-hydroxy fatty acid (CHEBI:78954)
(3R,21R)-3,21-dihydroxybehenic acid (CHEBI:79254) is a 3-hydroxy carboxylic acid (CHEBI:61355)
(3R,21R)-3,21-dihydroxybehenic acid (CHEBI:79254) is a dihydroxy monocarboxylic acid (CHEBI:35972)
(3R,21R)-3,21-dihydroxybehenic acid (CHEBI:79254) is a long-chain fatty acid (CHEBI:15904)
Incoming Relation(s)
bhas#40 (CHEBI:79240) has functional parent (3R,21R)-3,21-dihydroxybehenic acid (CHEBI:79254)
IUPAC Name 
(3R,21R)-3,21-dihydroxydocosanoic acid
Synonyms  Source
(R,R)-3,21-dihydroxybehenic acidChEBI
(R,R)-3,21-dihydroxydocosanoic acidChEBI