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CHEBI:25646 - octanoate

ChEBI IDCHEBI:25646
ChEBI Nameoctanoate
Stars
DefinitionA straight-chain saturated fatty acid anion that is the conjugate base of octanoic acid (caprylic acid); believed to block adipogenesis.
Last Modified13 May 2022
DownloadsMolfile
FormulaC8H15O2
Net Charge-1
Average Mass143.206
Monoisotopic Mass143.10775
SMILESCCCCCCCC(=O)[O-]
InChIInChI=1S/C8H16O2/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3,(H,9,10)/p-1
InChIKeyWWZKQHOCKIZLMA-UHFFFAOYSA-M
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - DOI (10.1038/nbt.2488)
Saccharomyces cerevisiae (ncbitaxon:4932) - PubMed (24678285) Source: yeast.sf.net
Roles Classification
Biological Roles:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
Saccharomyces cerevisiae metabolite  Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
ChEBI Ontology
Outgoing Relation(s)
octanoate (CHEBI:25646) has role Saccharomyces cerevisiae metabolite (CHEBI:75772)
octanoate (CHEBI:25646) has role human metabolite (CHEBI:77746)
octanoate (CHEBI:25646) is a fatty acid anion 8:0 (CHEBI:78117)
octanoate (CHEBI:25646) is a straight-chain saturated fatty acid anion (CHEBI:58954)
octanoate (CHEBI:25646) is conjugate base of octanoic acid (CHEBI:28837)
Incoming Relation(s)
N-octanoyl-3-ketodihydrosphingosine (CHEBI:189539) has functional parent octanoate (CHEBI:25646)
O-octanoyl-L-serine residue (CHEBI:143548) has functional parent octanoate (CHEBI:25646)
O-octanoyl-L-threonine residue (CHEBI:143547) has functional parent octanoate (CHEBI:25646)
1-octanoyl-sn-glycero-2,3-cyclic-phosphate(1−) (CHEBI:143876) has functional parent octanoate (CHEBI:25646)
1-octanoyl-sn-glycero-3-phosphocholine zwitterion (CHEBI:143866) has functional parent octanoate (CHEBI:25646)
1,2-dioctanoyl-sn-glycero-3-phosphate(2−) (CHEBI:78229) has functional parent octanoate (CHEBI:25646)
2-oxooctanoate (CHEBI:176689) has functional parent octanoate (CHEBI:25646)
6-hydroxy-3,7-dimethyloctanoate (CHEBI:64223) has functional parent octanoate (CHEBI:25646)
8-[(1R,2R)-3-oxo-2-{(Z)-pent-2-en-1-yl}cyclopentyl]octanoate (CHEBI:15720) has functional parent octanoate (CHEBI:25646)
8-[(1S,2S)-3-oxo-2-{(Z)-pent-2-en-1-yl}cyclopentyl]octanoate (CHEBI:191855) has functional parent octanoate (CHEBI:25646)
dihydrolipoate (CHEBI:30316) has functional parent octanoate (CHEBI:25646)
lipoate (CHEBI:30313) has functional parent octanoate (CHEBI:25646)
sodium octanoate (CHEBI:132100) has part octanoate (CHEBI:25646)
octanoic acid (CHEBI:28837) is conjugate acid of octanoate (CHEBI:25646)
IUPAC Name 
octanoate
Synonyms  Source
octanoateChemIDplus
octanoic acid, ion(1−)ChemIDplus
CH3‒[CH2]6‒COO−ChEBI
n-caprylateChEBI
octylateChEBI
n-octoateChEBI
UniProt Name  Source
octanoateUniProt
Manual XrefsDatabases
c0047UM-BBD
Registry NumbersSources
Gmelin:329219Gmelin
Reaxys:3588079Reaxys
CAS:74-81-7ChemIDplus
Citations