Universal:octa
octanoate
Default Component
octa:-1
- octanoate
- Charge: -1
- Formula: C8H15O2
CHEBI:25646
- octanoate
- Type: Small Molecule
- InChiKey: WWZKQHOCKIZLMA-UHFFFAOYSA-M
- View on ChEBI
Properties
- Molecular Mass||g/mol: 143.204[0], 143.0[1]
- SMILES: CCCCCCCC(=O)[O-][0,1]
- Names: octanoate[0,1], octanoic acid, ion(1-)[0], CH3-[CH2]6-COO(-)[0], n-caprylate[0], octylate[0], n-octoate[0], n-octylate[0], n-octanoate[0], 1-heptanecarboxylate[0], caprilate[0], caprylate[0], 1-heptanecarboxylic acid[1], C-8 acid[1], Caprylic acid[1], Octanoic acid[1], Octylic acid[1], caprylic acid[1], capryloate[1], n-caprylic acid[1], n-octanoic acid[1], n-octic acid[1], n-octylic acid[1], neo-fat 8[1], octanoate (n-C8:0)[1], octanoic acid[1], octoic acid[1]
Linkouts
- CHEBI: CHEBI:25646 [0]
- SEED Compound: cpd03846 [1]
- KEGG Compound: C06423 [1]
- MetaCyc Compound: CPD-195 [1]
- MetaNetX Chemical: MNXM750 [1]
Alternative Component
octa:0
- octanoic acid
- Charge: 0
- Formula: C8H16O2
CHEBI:28837
- octanoic acid
- Type: Small Molecule
- InChiKey: WWZKQHOCKIZLMA-UHFFFAOYSA-N
- View on ChEBI
Properties
- Molecular Mass||g/mol: 144.2114[0]
- SMILES: CCCCCCCC(=O)O[0]
- Names: Caprylic acid[0], Octanoic acid[0], Octylic acid[0], octanoic acid[0], n-octanoic acid[0], octoic acid[0], CH3-[CH2]6-COOH[0], Octansaeure[0], Kaprylsaeure[0], OCTANOIC ACID (CAPRYLIC ACID)[0], n-octoic acid[0], n-octylic acid[0], n-caprylic acid[0], 1-heptanecarboxylic acid[0], Acide octanoique[0], Acidum octanocium[0], Acido octanoico[0], 8:0[0], C8:0[0], acido octanoico[0], acidum octanoicum[0], acide octanoique[0]
Linkouts
- CHEBI: CHEBI:28837 [0]
- KEGG Compound: C06423 [0]
- DrugBank: DB04519 [0]
- MetaCyc Compound: CPD-195 [0]
- HMDB: HMDB0000482 [0]
- Wikipedia: Caprylic_acid [0]
- KEGG Drug: D05220 [0]
Metabolite in Models
| BiGG ID | Compartment | Charge | Model | Organism | |
|---|---|---|---|---|---|
| BiGG ID | Compartment | Charge | Model | Organism |