You are using an unsupported browser. Please upgrade your browser to a newer version to get the best experience on Human Metabolome Database.
Record Information |
---|
Version | 4.0 |
---|
Status | Expected but not Quantified |
---|
Creation Date | 2005-11-20 22:13:23 UTC |
---|
Update Date | 2020-02-26 21:23:30 UTC |
---|
HMDB ID | HMDB0001568 |
---|
Secondary Accession Numbers | - HMDB0010723
- HMDB01568
- HMDB10723
|
---|
Metabolite Identification |
---|
Common Name | trans-2-Octenoic acid |
---|
Description | As to unsaturated acids, those with eight carbon atoms, 2-octenoic acid (trans-8: 1[2]) and 2-octynoic acid (8:::1[2]), increase the susceptibility to infection and fluidity while low concentrations of monounsaturated acids with 14 and 18 carbon atoms, myristoleic acid (cis-14:1[9]) and oleic acid (cis-18:1[9]), reduce both the susceptibility to infection and the fluidity of the membrane (PMID: 1963884 ). |
---|
Structure | |
---|
Synonyms | Value | Source |
---|
(e)-2-Octenoic acid | ChEBI | trans-alpha-Octenoic acid | ChEBI | (e)-2-Octenoate | Generator | trans-2-Octenoate | Generator | trans-a-Octenoate | Generator | trans-a-Octenoic acid | Generator | trans-alpha-Octenoate | Generator | trans-α-octenoate | Generator | trans-α-octenoic acid | Generator | (e)-Oct-2-enoate | HMDB | (e)-Oct-2-enoic acid | HMDB | (2E)-2-Octenoic acid | HMDB | (2E)-Oct-2-enoic acid | HMDB | trans-2-Octenoic acid | HMDB |
|
---|
Chemical Formula | C8H14O2 |
---|
Average Molecular Weight | 142.1956 |
---|
Monoisotopic Molecular Weight | 142.099379692 |
---|
IUPAC Name | (2E)-oct-2-enoic acid |
---|
Traditional Name | trans-2-octenoic acid |
---|
CAS Registry Number | 1871-67-6 |
---|
SMILES | CCCCC\C=C\C(O)=O |
---|
InChI Identifier | InChI=1S/C8H14O2/c1-2-3-4-5-6-7-8(9)10/h6-7H,2-5H2,1H3,(H,9,10)/b7-6+ |
---|
InChI Key | CWMPPVPFLSZGCY-VOTSOKGWSA-N |
---|
Chemical Taxonomy |
---|
Description | This compound 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
- Unsaturated 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 | |
---|
Ontology |
---|
|
Disposition | Route of exposure: Source: Biological location: |
---|
Process | Naturally occurring process: |
---|
Role | Industrial application: Biological role: |
---|
Physical Properties |
---|
State | Liquid |
---|
Experimental Properties | Property | Value | Reference |
---|
Melting Point | 5 - 6 °C | Not Available | Boiling Point | Not Available | Not Available | Water Solubility | Not Available | Not Available | LogP | 2.9 | Not Available |
|
---|
Predicted Properties | |
---|
Spectra |
---|
| Spectrum Type | Description | Splash Key | View |
---|
GC-MS | GC-MS Spectrum - EI-B (Non-derivatized) | splash10-0096-9000000000-801c8e0537a0c78cb64f | Spectrum | GC-MS | GC-MS Spectrum - EI-B (Non-derivatized) | splash10-0096-9000000000-801c8e0537a0c78cb64f | Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive | splash10-054x-9100000000-674e58e1403584c37510 | Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (1 TMS) - 70eV, Positive | splash10-05i3-9300000000-009fbcd018a04b967cd1 | Spectrum | LC-MS/MS | LC-MS/MS Spectrum - Quattro_QQQ 10V, Negative (Annotated) | splash10-0006-1900000000-b7bf23a0b3d2e169aaaf | Spectrum | LC-MS/MS | LC-MS/MS Spectrum - Quattro_QQQ 25V, Negative (Annotated) | splash10-0006-3900000000-8f50ffbb66fd8d8a4093 | Spectrum | LC-MS/MS | LC-MS/MS Spectrum - Quattro_QQQ 40V, Negative (Annotated) | splash10-0006-4900000000-9d8bc0c8f59ac419fbfd | Spectrum | LC-MS/MS | LC-MS/MS Spectrum - EI-B (HITACHI M-80B) , Positive | splash10-0096-9000000000-41aeee8c78cb838799da | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-002f-3900000000-eabda8115bfbf3fc6fca | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-001m-9200000000-38d844ded2c3da09c746 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0006-9000000000-b1716f6f88db0d93c495 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0006-1900000000-5d702aa87f7d38dc2009 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0007-6900000000-ddfae845c01ce646730e | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0007-9100000000-f2b136da6cc734a29fab | Spectrum | 1D NMR | 1H NMR Spectrum | Not Available | Spectrum | 1D NMR | 1H NMR Spectrum | Not Available | Spectrum | 1D NMR | 13C NMR Spectrum | Not Available | Spectrum | 2D NMR | [1H,13C] 2D NMR Spectrum | Not Available | Spectrum |
|
---|
Biological Properties |
---|
Cellular Locations | |
---|
Biospecimen Locations | Not Available |
---|
Tissue Locations | Not Available |
---|
Pathways | |
---|
Normal Concentrations |
---|
| Not Available |
---|
Abnormal Concentrations |
---|
| Not Available |
---|
Associated Disorders and Diseases |
---|
Disease References | None |
---|
Associated OMIM IDs | None |
---|
External Links |
---|
DrugBank ID | Not Available |
---|
Phenol Explorer Compound ID | Not Available |
---|
FooDB ID | FDB001088 |
---|
KNApSAcK ID | Not Available |
---|
Chemspider ID | 4445841 |
---|
KEGG Compound ID | Not Available |
---|
BioCyc ID | Not Available |
---|
BiGG ID | Not Available |
---|
Wikipedia Link | Not Available |
---|
METLIN ID | 6328 |
---|
PubChem Compound | 5282714 |
---|
PDB ID | Not Available |
---|
ChEBI ID | 86544 |
---|
Food Biomarker Ontology | Not Available |
---|
VMH ID | Not Available |
---|
MarkerDB ID | |
---|
References |
---|
Synthesis Reference | Kameda, Kenji; Chikaki, Mariko; Morimoto, Chie; Jiang, Ming; Okuda, Hiromichi. Insulin-like actions of trans-10-hydroxy-2-decanoic acid and its related substances. Wakan Iyakugaku Zasshi (1996), 13(4), 456-457. |
---|
Material Safety Data Sheet (MSDS) | Download (PDF) |
---|
General References | - Guha L, Seenivasagan T, Iqbal ST, Agrawal OP, Parashar BD: Behavioral and electrophysiological responses of Aedes albopictus to certain acids and alcohols present in human skin emanations. Parasitol Res. 2014 Oct;113(10):3781-7. doi: 10.1007/s00436-014-4044-0. Epub 2014 Jul 23. [PubMed:25049052 ]
- Galdiero F, Folgore A, Galdiero M, Tufano MA: Effect of modification of HEp 2 cell membrane lipidic phase on susceptibility to infection from herpes simplex virus. Infection. 1990 Nov-Dec;18(6):372-5. [PubMed:1963884 ]
|
---|