Universal:hxa
hexanoate
Default Component
hxa:-1
- hexanoate
- Charge: -1
- Formula: C6H11O2
CHEBI:17120
- hexanoate
- Type: Small Molecule
- InChiKey: FUZZWVXGSFPDMH-UHFFFAOYSA-M
- View on ChEBI
Properties
- Molecular Mass||g/mol: 115.15034[0], 115.0[1]
- SMILES: CCCCCC(=O)[O-][0,1]
- Names: hexanoate[0,1], caproate[0,1], nPnCO2 anion[0], CH3-[CH2]4-COO(-)[0], n-hexoate[0], hexylate[0], hexoate[0], butylacetate[0], n-hexanoate[0], 1-hexanoate[0], capronate[0], n-hexylate[0], pentylformate[0], n-caproate[0], 1-pentacarboxylate[0], 1-pentanecarboxylate[0], pentanecarboxylate[0], Hexanoate[1], Hexanoate (n-C6:0)[1], Hexanoic acid[1], Hexylic acid[1], a hexonic acid[1], hexanoic acid[1], n-Caproic acid[1]
Linkouts
- CHEBI: CHEBI:17120 [0]
- KEGG Compound: C01585 [0,1]
- MetaCyc Compound: HEXANOATE [0,1]
- SEED Compound: cpd01113 [1]
- MetaNetX Chemical: MNXM1653 [1]
Alternative Component
hxa:0
- hexanoic acid
- Charge: 0
- Formula: C6H12O2
CHEBI:30776
- hexanoic acid
- Type: Small Molecule
- InChiKey: FUZZWVXGSFPDMH-UHFFFAOYSA-N
- View on ChEBI
Properties
- Molecular Mass||g/mol: 116.1583[0]
- SMILES: CCCCCC(=O)O[0]
- Names: Hexylic acid[0], Hexanoic acid[0], n-Caproic acid[0], hexanoic acid[0], 6:0[0], capronic acid[0], hexoic acid[0], CH3-[CH2]4-COOH[0], n-hexanoic acid[0], HEXANOIC ACID[0], 1-hexanoic acid[0], 1-pentanecarboxylic acid[0], butylacetic acid[0], pentylformic acid[0], n-hexoic acid[0], n-hexylic acid[0], pentiformic acid[0], Pentanecarboxylic acid[0], C6:0[0], Hexanoate[0], caproic acid[0]
Linkouts
- CHEBI: CHEBI:30776 [0]
- KEGG Compound: C01585 [0]
- MetaCyc Compound: HEXANOATE [0]
- HMDB: HMDB0000535 [0]
- Wikipedia: Hexanoic_acid [0]
Metabolite in Models
| BiGG ID | Compartment | Charge | Model | Organism | |
|---|---|---|---|---|---|
| BiGG ID | Compartment | Charge | Model | Organism |