You are using an unsupported browser. Please upgrade your browser to a newer version to get the best experience on Yeast Metabolome Database.
| Identification |
|---|
| YMDB ID | YMDB01424 |
|---|
| Name | hexanoic acid |
|---|
| Species | Saccharomyces cerevisiae |
|---|
| Strain | Brewer's yeast |
|---|
| Description | Caproic acid, also known as hexanoate or 6:0, belongs to the class of organic compounds known as medium-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 4 and 12 carbon atoms. Caproic acid is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral. Caproic acid is a potentially toxic compound. |
|---|
| Structure | |
|---|
| Synonyms | - (+)-S-Lysine
- (S)-2,6-diamino-Hexanoate
- (S)-2,6-diamino-Hexanoic acid
- (S)-2,6-Diaminohexanoate
- (S)-2,6-Diaminohexanoic acid
- (S)-a,e-Diaminocaproate
- (S)-a,e-Diaminocaproic acid
- (S)-alpha,epsilon-diaminocaproic acid
- (S)-Lysine
- 2,6-Diaminohexanoate
- 2,6-diaminohexanoic acid
- 6-amino-Aminutrin
- 6-amino-L-Norleucine
- a-Lysine
- alpha-Lysine
- Aminutrin
- Hexanoic acid, 2,6-diamino-, (S)-
- K
- L-(+)-Lysine
- L-2,6-Diainohexanoate
- L-2,6-Diainohexanoic acid
- L-2,6-Diaminocaproate
- L-2,6-Diaminocaproic acid
- L-H2N(CH2)4CH(NH2)COOH
- L-Lys
- L-Lysin
- L-Lysine
- Lys
- Lysine
- Lysine acid
- Lysine, L-
- 1-Hexanoic acid
- 1-Pentanecarboxylic acid
- 6:0
- Butylacetic acid
- C6:0
- Capronic acid
- CH3-[CH2]4-COOH
- Hexanoate
- Hexoic acid
- Hexylic acid
- N-Caproic acid
- N-Hexanoic acid
- N-Hexoic acid
- N-Hexylic acid
- Pentanecarboxylic acid
- Pentiformic acid
- Pentylformic acid
- 1-Hexanoate
- 1-Pentanecarboxylate
- Butylacetate
- Capronate
- Hexanoic acid
- Hexoate
- Hexylate
- N-Caproate
- N-Hexanoate
- N-Hexoate
- N-Hexylate
- Pentanecarboxylate
- Pentiformate
- Pentylformate
- Caproate
- Hexanoic acid, calcium salt
- Hexanoic acid, sodium salt, 1-(11)C-labeled
- Hexanoic acid, nickel (2+) salt
- Hexanoic acid, sodium salt
- Bismuth(III)hexanoate
- Hexanoic acid, copper (2+) salt
- Hexanoic acid, manganese (2+) salt
- Bi(ohex)3
- Hexanoic acid, barium salt
- Hexanoic acid, potassium salt
- Hexanoic acid, rhodium (2+) salt
- FA(6:0)
- Calcium N-hexanoate
- Hexanoic acid, sodium salt (1:1)
- Sodium capronate
- Calcium hexanoate
- Caproic acid sodium salt
- Sodium caproate
- Sodium hexanoate
|
|---|
| CAS number | 56-87-1 |
|---|
| Weight | Average: 116.1583
Monoisotopic: 116.083729628 |
|---|
| InChI Key | FUZZWVXGSFPDMH-UHFFFAOYSA-N |
|---|
| InChI | InChI=1S/C6H12O2/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H,7,8) |
|---|
| IUPAC Name | hexanoic acid |
|---|
| Traditional IUPAC Name | hexanoic acid |
|---|
| Chemical Formula | C6H12O2 |
|---|
| SMILES | CCCCCC(O)=O |
|---|
| Chemical Taxonomy |
|---|
| Description | belongs to the class of organic compounds known as medium-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 4 and 12 carbon atoms. |
|---|
| Kingdom | Organic compounds |
|---|
| Super Class | Lipids and lipid-like molecules |
|---|
| Class | Fatty Acyls |
|---|
| Sub Class | Fatty acids and conjugates |
|---|
| Direct Parent | Medium-chain fatty acids |
|---|
| Alternative Parents | |
|---|
| Substituents | - Medium-chain fatty acid
- Straight chain fatty acid
- Monocarboxylic acid or derivatives
- Carboxylic acid
- Carboxylic acid derivative
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Carbonyl group
- Aliphatic acyclic compound
|
|---|
| Molecular Framework | Aliphatic acyclic compounds |
|---|
| External Descriptors | |
|---|
| Physical Properties |
|---|
| State | Solid |
|---|
| Charge | 0 |
|---|
| Melting point | 224.5 °C |
|---|
| Experimental Properties | | Property | Value | Reference |
|---|
| Water Solubility | 1000 mg/mL at 20 oC [YALKOWSKY,SH & DANNENFELSER,RM (1992)] | PhysProp | | LogP | -3.05 [HANSCH,C ET AL. (1995)] | PhysProp |
|
|---|
| Predicted Properties | |
|---|
| Biological Properties |
|---|
| Cellular Locations | |
|---|
| Organoleptic Properties | |
|---|
| SMPDB Pathways | |
|---|
| KEGG Pathways | |
|---|
| SMPDB Reactions | |
|---|
| KEGG Reactions | Not Available |
|---|
| Concentrations |
|---|
| Intracellular Concentrations | Not Available |
|---|
| Extracellular Concentrations | Not Available |
|---|
| Spectra |
|---|
| Spectra |
|---|
| References |
|---|
| References: | - Antonelli, A., Castellari, L., Zambonelli, C., Carnacini, A. (1999). "Yeast influence on volatile composition of wines." J Agric Food Chem 47:1139-1144.10552428
- Patel, S., Shibamoto, T. (2002). "Effect of different strains of Saccharomyces cerevisiae on production of volatiles in Napa Gamay wine and Petite Sirah wine." J Agric Food Chem 50:5649-5653.12236692
- Nookaew, I., Jewett, M. C., Meechai, A., Thammarongtham, C., Laoteng, K., Cheevadhanarak, S., Nielsen, J., Bhumiratana, S. (2008). "The genome-scale metabolic model iIN800 of Saccharomyces cerevisiae and its validation: a scaffold to query lipid metabolism." BMC Syst Biol 2:71.18687109
- Shimazu, M., Sekito, T., Akiyama, K., Ohsumi, Y., Kakinuma, Y. (2005). "A family of basic amino acid transporters of the vacuolar membrane from Saccharomyces cerevisiae." J Biol Chem 280:4851-4857.15572352
- Bhattacharjee, J. K. (1985). "alpha-Aminoadipate pathway for the biosynthesis of lysine in lower eukaryotes." Crit Rev Microbiol 12:131-151.3928261
|
|---|
| Synthesis Reference: | Not Available |
|---|
| External Links: | |
|---|
