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CHEBI:25629 - octadecanoate

ChEBI IDCHEBI:25629
ChEBI Nameoctadecanoate
Stars
DefinitionA fatty acid anion 18:0 that is the conjugate base of octadecanoic acid (stearic acid). Stearates have a variety of uses in the pharmaceutical industry.
Secondary ChEBI IDCHEBI:231588
Last Modified4 April 2022
DownloadsMolfile
FormulaC18H35O2
Net Charge-1
Average Mass283.476
Monoisotopic Mass283.26425
SMILESCCCCCCCCCCCCCCCCCC(=O)[O-]
InChIInChI=1S/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H,19,20)/p-1
InChIKeyQIQXTHQIDYTFRH-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:
Saccharomyces cerevisiae metabolite  Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
octadecanoate (CHEBI:25629) has role Saccharomyces cerevisiae metabolite (CHEBI:75772)
octadecanoate (CHEBI:25629) has role human metabolite (CHEBI:77746)
octadecanoate (CHEBI:25629) has role plant metabolite (CHEBI:76924)
octadecanoate (CHEBI:25629) is a 2-saturated fatty acid anion (CHEBI:83955)
octadecanoate (CHEBI:25629) is a fatty acid anion 18:0 (CHEBI:78125)
octadecanoate (CHEBI:25629) is a long-chain fatty acid anion (CHEBI:57560)
octadecanoate (CHEBI:25629) is a straight-chain saturated fatty acid anion (CHEBI:58954)
octadecanoate (CHEBI:25629) is conjugate base of octadecanoic acid (CHEBI:28842)
Incoming Relation(s)
(R)-10-hydroxyoctadecanoate (CHEBI:15683) has functional parent octadecanoate (CHEBI:25629)
N-stearoyl-L-phenylalanine(1−) (CHEBI:149700) has functional parent octadecanoate (CHEBI:25629)
N-stearoyl-3-ketodihydrosphingosine (CHEBI:189540) has functional parent octadecanoate (CHEBI:25629)
N6-stearoyl-L-lysine residue (CHEBI:143206) has functional parent octadecanoate (CHEBI:25629)
S-stearoyl-L-cysteine group (CHEBI:143200) has functional parent octadecanoate (CHEBI:25629)
1-radyl,2-stearoyl-sn-glycero-3-phosphate(2−) (CHEBI:235465) has functional parent octadecanoate (CHEBI:25629)
1-radyl,2-stearoyl-sn-glycerol (CHEBI:235459) has functional parent octadecanoate (CHEBI:25629)
1-stearoyl-sn-glycero-3-phospho-(3'-stearoyl-1'-sn-glycerol)(1−) (CHEBI:232638) has functional parent octadecanoate (CHEBI:25629)
10,13-dihydroxyoctadecanoate (CHEBI:195301) has functional parent octadecanoate (CHEBI:25629)
18-hydroxyoctadecanoate (CHEBI:86046) has functional parent octadecanoate (CHEBI:25629)
2-hydroxyoctadecanoate (CHEBI:76724) has functional parent octadecanoate (CHEBI:25629)
2-oxooctadecanoate (CHEBI:17162) has functional parent octadecanoate (CHEBI:25629)
3-hydroxyoctadecanoate (CHEBI:76614) has functional parent octadecanoate (CHEBI:25629)
3,18-dihydroxyoctadecanoate (CHEBI:76615) has functional parent octadecanoate (CHEBI:25629)
9,10-epoxy-18-hydroxyoctadecanoate (CHEBI:137457) has functional parent octadecanoate (CHEBI:25629)
aluminium tristearate (CHEBI:37867) has part octadecanoate (CHEBI:25629)
calcium stearate (CHEBI:190296) has part octadecanoate (CHEBI:25629)
sodium octadecanoate (CHEBI:132109) has part octadecanoate (CHEBI:25629)
octadecanoic acid (CHEBI:28842) is conjugate acid of octadecanoate (CHEBI:25629)
IUPAC Name 
octadecanoate
Synonyms  Source
stearateChemIDplus
octadecanoic acid, ion(1−)ChemIDplus
stearic acid, ion(1−)ChemIDplus
CH3‒[CH2]16‒COO−IUPAC
StearateKEGG COMPOUND
UniProt Name  Source
octadecanoateUniProt
Manual XrefsDatabases
C01530KEGG COMPOUND
STEARIC_ACIDMetaCyc
Registry NumbersSources
Gmelin:344065Gmelin
Reaxys:3590530Reaxys
CAS:646-29-7ChemIDplus
Citations