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CHEBI:18262 - dodecanoate
| Formula | C12H23O2 |
| Net Charge | -1 |
| Average Mass | 199.314 |
| Monoisotopic Mass | 199.17035 |
| SMILES | CCCCCCCCCCCC(=O)[O-] |
| InChI | InChI=1S/C12H24O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H,13,14)/p-1 |
| InChIKey | POULHZVOKOAJMA-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: | 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. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| dodecanoate (CHEBI:18262) has role Saccharomyces cerevisiae metabolite (CHEBI:75772) |
| dodecanoate (CHEBI:18262) has role plant metabolite (CHEBI:76924) |
| dodecanoate (CHEBI:18262) is a fatty acid anion 12:0 (CHEBI:78119) |
| dodecanoate (CHEBI:18262) is a medium-chain fatty acid anion (CHEBI:59558) |
| dodecanoate (CHEBI:18262) is a straight-chain saturated fatty acid anion (CHEBI:58954) |
| dodecanoate (CHEBI:18262) is a ω-methyl fatty acid anion (CHEBI:76619) |
| dodecanoate (CHEBI:18262) is a ω-methyl-medium-chain fatty acid anion (CHEBI:194240) |
| dodecanoate (CHEBI:18262) is conjugate base of dodecanoic acid (CHEBI:30805) |
| Incoming Relation(s) |
| N-lauroyl-3-ketodihydrosphingosine (CHEBI:189537) has functional parent dodecanoate (CHEBI:18262) |
| N-lauroyl-heptadecasphingosine-1-phosphoethanolamine zwitterion (CHEBI:143864) has functional parent dodecanoate (CHEBI:18262) |
| N6-lauroyl-L-lysine residue (CHEBI:143221) has functional parent dodecanoate (CHEBI:18262) |
| O-lauroyl-L-serine residue (CHEBI:177292) has functional parent dodecanoate (CHEBI:18262) |
| 11-hydroxylaurate (CHEBI:76628) has functional parent dodecanoate (CHEBI:18262) |
| 2-hydroxydodec-2-enoate (CHEBI:141781) has functional parent dodecanoate (CHEBI:18262) |
| 2-hydroxydodecanoate (CHEBI:141772) has functional parent dodecanoate (CHEBI:18262) |
| 2,3-dihydroxydodecanoate (CHEBI:141780) has functional parent dodecanoate (CHEBI:18262) |
| 3-hydroxylaurate (CHEBI:76616) has functional parent dodecanoate (CHEBI:18262) |
| 3-oxododecanoate (CHEBI:29743) has functional parent dodecanoate (CHEBI:18262) |
| 3,12-dihydroxylaurate (CHEBI:76618) has functional parent dodecanoate (CHEBI:18262) |
| sodium dodecanoate (CHEBI:131839) has part dodecanoate (CHEBI:18262) |
| dodecanoic acid (CHEBI:30805) is conjugate acid of dodecanoate (CHEBI:18262) |
| IUPAC Name |
|---|
| dodecanoate |
| Synonyms | Source |
|---|---|
| 1-undecanecarboxylate | ChEBI |
| C12 fatty acid anion | ChEBI |
| CH3‒[CH2]10‒COO− | IUPAC |
| dodecoate | ChEBI |
| dodecylate | ChEBI |
| duodecyclate | ChEBI |
| UniProt Name | Source |
|---|---|
| dodecanoate | UniProt |
| Manual Xrefs | Databases |
|---|---|
| C02679 | KEGG COMPOUND |
| DODECANOATE | MetaCyc |
| Registry Numbers | Sources |
|---|---|
| Gmelin:333430 | Gmelin |
| Reaxys:3588839 | Reaxys |