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CHEBI:76722 - 2-hydroxybehenate

ChEBI IDCHEBI:76722
ChEBI Name2-hydroxybehenate
Stars
DefinitionA 2-hydroxy fatty acid anion that is the conjugate base of 2-hydroxybehenic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Last Modified5 February 2018
Submitterlaimo
DownloadsMolfile
FormulaC22H43O3
Net Charge-1
Average Mass355.583
Monoisotopic Mass355.32177
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)/p-1
InChIKeyRPGJJWLCCOPDAZ-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
2-hydroxybehenate (CHEBI:76722) has functional parent behenate (CHEBI:23858)
2-hydroxybehenate (CHEBI:76722) is a 2-hydroxy fatty acid anion 22:0 (CHEBI:139195)
2-hydroxybehenate (CHEBI:76722) is a long-chain fatty acid anion (CHEBI:57560)
2-hydroxybehenate (CHEBI:76722) is conjugate base of 2-hydroxybehenic acid (CHEBI:76980)
Incoming Relation(s)
(R)-2-hydroxydocosanoate(1−) (CHEBI:229750) is a 2-hydroxybehenate (CHEBI:76722)
2-hydroxybehenic acid (CHEBI:76980) is conjugate acid of 2-hydroxybehenate (CHEBI:76722)
IUPAC Name 
2-hydroxydocosanoate
Synonyms  Source
α-hydroxydocosanoateChEBI
2-OH-C20:0(1−)SUBMITTER
α-hydroxybehenateChEBI
UniProt Name  Source
2-hydroxydocosanoateUniProt
Manual XrefsDatabases
CPD-9780MetaCyc