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CHEBI:25629 - octadecanoate
| Formula | C18H35O2 |
| Net Charge | -1 |
| Average Mass | 283.476 |
| Monoisotopic Mass | 283.26425 |
| SMILES | CCCCCCCCCCCCCCCCCC(=O)[O-] |
| 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 |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | - | DOI (10.1038/nbt.2488) | |
| Saccharomyces cerevisiae (ncbitaxon:4932) | - | PubMed (24678285) | Source: yeast.sf.net |
| Roles Classification |
|---|
| Biological Roles: | plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. 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). |
| 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 |
|---|---|
| CH3‒[CH2]16‒COO− | IUPAC |
| octadecanoic acid, ion(1−) | ChemIDplus |
| stearate | ChemIDplus |
| Stearate | KEGG COMPOUND |
| stearic acid, ion(1−) | ChemIDplus |
| UniProt Name | Source |
|---|---|
| octadecanoate | UniProt |
| Manual Xrefs | Databases |
|---|---|
| C01530 | KEGG COMPOUND |
| STEARIC_ACID | MetaCyc |
| Registry Numbers | Sources |
|---|---|
| Gmelin:344065 | Gmelin |
| Reaxys:3590530 | Reaxys |
| CAS:646-29-7 | ChemIDplus |
| Citations |
|---|