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CHEBI:23858 - behenate

ChEBI IDCHEBI:23858
ChEBI Namebehenate
Stars
DefinitionA straight-chain saturated fatty acid anion that is the conjugate base of behenic acid, arising from deprotonation of the carboxylic acid group.
Last Modified8 March 2017
DownloadsMolfile
FormulaC22H43O2
Net Charge-1
Average Mass339.584
Monoisotopic Mass339.32685
SMILESCCCCCCCCCCCCCCCCCCCCCC(=O)[O-]
InChIInChI=1S/C22H44O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h2-21H2,1H3,(H,23,24)/p-1
InChIKeyUKMSUNONTOPOIO-UHFFFAOYSA-M
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - DOI (10.1038/nbt.2488)
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
behenate (CHEBI:23858) has role human metabolite (CHEBI:77746)
behenate (CHEBI:23858) is a 2-saturated fatty acid anion (CHEBI:83955)
behenate (CHEBI:23858) is a fatty acid anion 22:0 (CHEBI:78127)
behenate (CHEBI:23858) is a long-chain fatty acid anion (CHEBI:57560)
behenate (CHEBI:23858) is a straight-chain saturated fatty acid anion (CHEBI:58954)
behenate (CHEBI:23858) is a ω-methyl fatty acid anion (CHEBI:76619)
behenate (CHEBI:23858) is conjugate base of docosanoic acid (CHEBI:28941)
Incoming Relation(s)
(R)-docosanoylcarnitine (CHEBI:234316) has functional parent behenate (CHEBI:23858)
N-docosanoyl-3-ketodihydrosphingosine (CHEBI:189542) has functional parent behenate (CHEBI:23858)
N-docosanoyltaurine(1−) (CHEBI:146196) has functional parent behenate (CHEBI:23858)
13-(β-D-glucosyloxy)docosanoate (CHEBI:36487) has functional parent behenate (CHEBI:23858)
13-hydroxydocosanoate (CHEBI:11320) has functional parent behenate (CHEBI:23858)
2-hydroxybehenate (CHEBI:76722) has functional parent behenate (CHEBI:23858)
docosanoic acid (CHEBI:28941) is conjugate acid of behenate (CHEBI:23858)
IUPAC Name 
docosanoate
Synonyms  Source
behenateIUBMB
CH3‒[CH2]20‒COO−IUPAC
DocosanoateKEGG COMPOUND
UniProt Name  Source
docosanoateUniProt
Manual XrefsDatabases
C08281KEGG COMPOUND
Registry NumbersSources
Gmelin:351197Gmelin