trans-2-Octenoic acid
PubChem CID: 5282714
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| Compound Synonyms | trans-2-Octenoic acid, 1871-67-6, 2-Octenoic acid, (E)-oct-2-enoic acid, 2-Octenoic acid, (2E)-, (E)-2-Octenoic acid, (2E)-2-Octenoic acid, 2-Octenoic acid, (E)-, 2E-octenoic acid, trans-alpha-octenoic acid, (2E)-oct-2-enoic acid, Oct-2-enoic acid, 1470-50-4, Oct-2-enoic acid (E), trans-2-Octenoate, UNII-C0057TJ59E, (E)-2-Octenoate, C0057TJ59E, C8:1n-6, EINECS 217-491-4, 2-Octenoic acid, trans-, (E)-Oct-2-enoate, FEMA NO. 3957, CHEBI:86544, DTXSID50904721, (E)-2-OCTENOIC ACID [FHFI], MFCD00002706, 2-Octenoate, EINECS 216-001-6, NSC 66570, trans-a-Octenoate, trans-alpha-Octenoate, trans-a-Octenoic acid, starbld0000560, 2-Octenoic acid, 85%, bmse000616, (2E)-2-Octenoic acid #, SCHEMBL192604, CHEMBL4277871, DTXCID80909183, LMFA01030018, s6162, AKOS006223032, HY-W046906, 2-Octenoic acid, technical grade, 85%, BS-23869, FO173031, DB-257137, CS-0098436, O0004, D91783, EN300-805053, Q27159230, 217-491-4 |
|---|---|
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Inchi Key | CWMPPVPFLSZGCY-VOTSOKGWSA-N |
| Rotatable Bond Count | 5.0 |
| State | Liquid |
| Synonyms | 2-Octenic acid, 2-Octenoate, 2-octenoic acid, 2Z-octenoate, 2Z-octenoic acid, Oct-2-enoate, Oct-2-enoic acid, (e)-2-Octenoic acid, 2-Octenoic acid, trans-alpha-Octenoic acid, (e)-2-Octenoate, trans-a-Octenoate, trans-a-Octenoic acid, trans-alpha-Octenoate, trans-Α-octenoate, trans-Α-octenoic acid, trans-2-Octenoate, (2E)-2-Octenoic acid, (2E)-Oct-2-enoic acid, trans-2-Octenoic acid, (e)-Oct-2-enoate, (e)-Oct-2-enoic acid, (6-{[7,19-dihydroxy-11-(4-hydroxy-3-methoxyphenyl)-18-(hydroxymethyl)-3,13-dioxo-18-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,14,17-trioxatetracyclo[14.2.1.0⁴,¹².0⁵,¹⁰]nonadeca-5,7,9-trien-8-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methyl 2-(2-hydroxy-3H-indol-3-yl)acetic acid, Secaloside b, Secaloside a |
| Heavy Atom Count | 10.0 |
| Compound Name | trans-2-Octenoic acid |
| Kingdom | Organic compounds |
| Description | 2-octenoic acid, also known as (E)-2-octenoate or trans-alpha-octenoic acid, is a member of the class of compounds known as medium-chain fatty acids. Medium-chain fatty acids are fatty acids with an aliphatic tail that contains between 4 and 12 carbon atoms. Thus, 2-octenoic acid is considered to be a fatty acid lipid molecule. 2-octenoic acid is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Within the cell, 2-octenoic acid is primarily located in the membrane (predicted from logP). It can also be found in the extracellular space. 2-octenoic acid exists in all eukaryotes, ranging from yeast to humans. In humans, 2-octenoic acid is involved in the fatty acid biosynthesis. |
| Exact Mass | 142.099 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 142.099 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 116.0 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 142.2 |
| Database Name | fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Uniprot Id | O42275, P81908, Q99436 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-oct-2-enoic acid |
| Total Atom Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Total Bond Stereocenter Count | 1.0 |
| Class | Fatty Acyls |
| Inchi | InChI=1S/C8H14O2/c1-2-3-4-5-6-7-8(9)10/h6-7H,2-5H2,1H3,(H,9,10)/b7-6+ |
| Smiles | CCCCC/C=C/C(=O)O |
| Xlogp | 2.7 |
| Superclass | Lipids and lipid-like molecules |
| Defined Bond Stereocenter Count | 1.0 |
| Subclass | Fatty acids and conjugates |
| Taxonomy Direct Parent | Medium-chain fatty acids |
| Molecular Formula | C8H14O2 |
- 1. Outgoing r'ship
FOUND_INto/from Camellia Sinensis (Plant) Rel Props:Source_db:fooddb_chem_all