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CHEBI:25646 - octanoate
| Formula | C8H15O2 |
| Net Charge | -1 |
| Average Mass | 143.206 |
| Monoisotopic Mass | 143.10775 |
| SMILES | CCCCCCCC(=O)[O-] |
| InChI | InChI=1S/C8H16O2/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3,(H,9,10)/p-1 |
| InChIKey | WWZKQHOCKIZLMA-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 ). human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). |
| 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 |
|---|---|
| 1-heptanecarboxylate | ChEBI |
| caprilate | ChEBI |
| caprylate | ChEBI |
| CH3‒[CH2]6‒COO− | ChEBI |
| n-caprylate | ChEBI |
| n-octanoate | ChEBI |
| UniProt Name | Source |
|---|---|
| octanoate | UniProt |
| Citations |
|---|