CHEBI:25629 - octadecanoate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name octadecanoate
ChEBI ID CHEBI:25629
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:231588
Supplier Information ChemicalBook:CB6281591
Download Molfile XML SDF
more structures >>
Formula C18H35O2
Net Charge -1
Average Mass 283.470
Monoisotopic Mass 283.26425
InChI InChI=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
InChIKey QIQXTHQIDYTFRH-UHFFFAOYSA-M
SMILES C(CCCCCCCCCC)CCCCCCC(=O)[O-]
Metabolite of Species Details
Saccharomyces cerevisiae (NCBI:txid4932) Source: yeast.sf.net See: PubMed
Homo sapiens (NCBI:txid9606) See: DOI
Roles Classification
Biological Role(s): Saccharomyces cerevisiae metabolite
Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 (R)-10-hydroxyoctadecanoate (CHEBI:15683) has functional parent octadecanoate (CHEBI:25629)
1-stearoyl-sn-glycero-3-phospho-(3ʼ-stearoyl-1ʼ-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)
3,18-dihydroxyoctadecanoate (CHEBI:76615) has functional parent octadecanoate (CHEBI:25629)
3-hydroxyoctadecanoate (CHEBI:76614) has functional parent octadecanoate (CHEBI:25629)
9,10-epoxy-18-hydroxyoctadecanoate (CHEBI:137457) has functional parent octadecanoate (CHEBI:25629)
N-stearoyl-3-ketodihydrosphingosine (CHEBI:189540) has functional parent octadecanoate (CHEBI:25629)
N-stearoyl-L-phenylalanine(1−) (CHEBI:149700) 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)
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 Sources
CH3‒[CH2]16‒COO− IUPAC
octadecanoate UniProt
octadecanoic acid, ion(1−) ChemIDplus
Stearate KEGG COMPOUND
stearate ChemIDplus
stearic acid, ion(1−) ChemIDplus
Manual Xrefs Databases
C01530 KEGG COMPOUND
STEARIC_ACID MetaCyc
View more database links
Registry Numbers Types Sources
344065 Gmelin Registry Number Gmelin
3590530 Reaxys Registry Number Reaxys
646-29-7 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
16401590 PubMed citation Europe PMC
19184617 PubMed citation Europe PMC
3180776 PubMed citation Europe PMC
7452460 PubMed citation Europe PMC
Last Modified
04 April 2022