2-Decenoic acid
PubChem CID: 5282724
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| Compound Synonyms | trans-2-Decenoic Acid, 334-49-6, 2-Decenoic acid, (E)-2-Decenoic acid, (E)-dec-2-enoic acid, Decenoic acid, 5- and 6-Decenoic acid, 72881-27-7, 2E-DECENOIC ACID, 3913-85-7, Dec-2-enoic acid, 2-Decenoic acid, (E)-, E-2-Decenoic acid, (Z)-2-decanoic acid, trans-2-Decylenic Acid, trans-dec-2-enoic acid, 26446-27-5, CHEBI:50467, 332T8TH7B1, 15790-91-7, (2E)-decenoic acid, 5(6)-Decenoic acid, 1-nonenylcarboxylic acid, 2-Decenoic acid, (2E)-, UNII-332T8TH7B1, 2-Decensaeure, 2-decylenic acid, 3E-decenoic acid, 2E-decylenic acid, Dec-2-en-saeure, EINECS 206-378-5, EINECS 247-698-5, MFCD00039530, (E)-2-decenoicacid, (E)-2-Decensaeure, 2-trans-decenoic acid, (2E)-2-Decenoic acid, (2E)-dec-2-enoic acid, 10:1, n-8 trans, C10:1, n-8 trans, (2E)-2-Decenoic acid #, SCHEMBL417923, SCHEMBL417924, CHEMBL2229622, FEMA NO. 3913, UNII-8H370297TA, CHEBI:50465, 2-DECENOIC ACID, TRANS-, DTXSID20904657, AAA33449, LMFA01030029, (E)-2-DECENOIC ACID [FHFI], AKOS004908023, AKOS037645109, 8H370297TA, AS-57206, BS-22322, C10:1, D0098, NS00041551, D89593, EN300-193394, Q27122082 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Unsaturated fatty acids |
| Deep Smiles | CCCCCCC/C=C/C=O)O |
| Heavy Atom Count | 12.0 |
| Classyfire Class | Fatty acyls |
| Description | Occurs in pear, capsicum, mutton, pork and black tea. Flavourant for beverages, baked goods, etc. trans-Dec-2-enoic acid is an intermediate in fatty acid biosynthesis. Specifically, trans-Dec-2-enoic is converted from (R)-3-Hydroxydecanoic acid via enzyme, fatty-acid Synthase (EC:2.3.1.85). 2-Decenoic acid is found in many foods, some of which are fruits, pomes, tea, and animal foods. |
| Classyfire Subclass | Fatty acids and conjugates |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 139.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Enzyme Uniprot Id | P49327 |
| Uniprot Id | P49327 |
| Iupac Name | (E)-dec-2-enoic acid |
| Class | Fatty Acyls |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 3.8 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Fatty acids and conjugates |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H18O2 |
| Inchi Key | WXBXVVIUZANZAU-CMDGGOBGSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 7.0 |
| State | Solid |
| Synonyms | (2E)-2-decenoic acid, (2E)-dec-2-enoic acid, (2e)-Decenoate, (2e)-Decenoic acid, (e)-2-Decenoate, (E)-2-Decenoic acid, (e)-2-Decensaeure, (E)-dec-2-enoic acid, 10:1, N-8 trans, 2-Decenoic acid, 2-trans-Decenoate, 2-trans-Decenoic acid, C10:1, N-8 trans, E-2-Decenoic acid, FEMA 3913, trans-Dec-2-enoate, trans-Dec-2-enoic acid, (2E)-Decenoic acid, (e)-2-Decenoic acid, 10:1, N-8 trans, C10:1, N-8 trans, (2E)-Decenoate, 2-Decenoic acid, (e)-isomer, cis-2-Decenoic acid, (e)-2-decenoic acid, 2-decenoic acid, 2-decenoic-acid |
| Substituent Name | Medium-chain fatty acid, Unsaturated fatty acid, Straight chain fatty acid, Monocarboxylic acid or derivatives, Carboxylic acid, Carboxylic acid derivative, Hydrocarbon derivative, Organooxygen compound, Carbonyl group, Aliphatic acyclic compound |
| Esol Class | Soluble |
| Functional Groups | C/C=C/C(=O)O |
| Compound Name | 2-Decenoic acid |
| Kingdom | Organic compounds |
| Exact Mass | 170.131 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 170.131 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 170.25 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C10H18O2/c1-2-3-4-5-6-7-8-9-10(11)12/h8-9H,2-7H2,1H3,(H,11,12)/b9-8+ |
| Smiles | CCCCCCC/C=C/C(=O)O |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 1.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Medium-chain fatty acids |
| Np Classifier Superclass | Fatty Acids and Conjugates |
- 1. Outgoing r'ship
FOUND_INto/from Capsicum Annuum (Plant) Rel Props:Reference:https://doi.org/10.15482/usda.adc/1239279 - 2. Outgoing r'ship
FOUND_INto/from Cestrum Nocturnum (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2010.10643871 - 3. Outgoing r'ship
FOUND_INto/from Pelargonium Graveolens (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2006.12067128 - 4. Outgoing r'ship
FOUND_INto/from Pyrus Communis (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2018.1553637