Universal:pta
valerate
Default Component
pta:-1
- valerate
- Charge: -1
- Formula: C5H9O2
CHEBI:31011
- valerate
- Type: Small Molecule
- InChiKey: NQPDZGIKBAWPEJ-UHFFFAOYSA-M
- View on ChEBI
Properties
- Molecular Mass||g/mol: 101.12376[0], 101.0[1]
- SMILES: CCCCC(=O)[O-][0,1]
- Names: pentanoate[0,1], pentanoic acid, ion(1-)[0], CH3-[CH2]3-COO(-)[0], n-propylacetate[0], Valerate[1], Pentanoate[1], Pentanoic acid[1], Valerianic acid[1], Valeric acid[1], n-Pentanoate[1], n-Valeric acid[1], pentanoic acid[1], valerate[1], valerianic acid[1]
Linkouts
- CHEBI: CHEBI:31011 [0]
- SEED Compound: cpd00597 [1]
- KEGG Compound: C00803 [1]
- MetaCyc Compound: VALERATE [1]
- MetaNetX Chemical: MNXM3382 [1]
Alternative Component
pta:0
- valeric acid
- Charge: 0
- Formula: C5H10O2
CHEBI:17418
- valeric acid
- Type: Small Molecule
- InChiKey: NQPDZGIKBAWPEJ-UHFFFAOYSA-N
- View on ChEBI
Properties
- Molecular Mass||g/mol: 102.1317[0]
- SMILES: CCCCC(=O)O[0]
- Names: Pentanoate[0], Valerate[0], Pentanoic acid[0], Valeric acid[0], Valerianic acid[0], n-Pentanoate[0], n-Valeric acid[0], pentanoic acid[0], CH3-[CH2]3-COOH[0], pentoic acid[0], Valeriansaeure[0], 1-butanecarboxylic acid[0], PENTANOIC ACID[0], n-BuCOOH[0], n-pentanoic acid[0], n-valeric acid[0], propylacetic acid[0], valeric acid, normal[0]
Linkouts
- CHEBI: CHEBI:17418 [0]
- KEGG Compound: C00803 [0]
- DrugBank: DB02406 [0]
- HMDB: HMDB0000892 [0]
- Wikipedia: Valeric acid [0]
Metabolite in Models
| BiGG ID | Compartment | Charge | Model | Organism | |
|---|---|---|---|---|---|
| BiGG ID | Compartment | Charge | Model | Organism |