alpha-Triticene
PubChem CID: 131751102
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| Compound Synonyms | alpha-Triticene, a-Triticene, CHEBI:172312, (Z)-4-methylidenetetradec-2-enal, 4-Methylene-(2e)-2-tetradecenal |
|---|---|
| Topological Polar Surface Area | 17.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 16.0 |
| Description | Constituent of Triticum aestivum (wheat). alpha-Triticene is found in wheat and common wheat. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 203.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (Z)-4-methylidenetetradec-2-enal |
| Nih Violation | True |
| Class | Fatty Acyls |
| Xlogp | 6.3 |
| Superclass | Lipids and lipid-like molecules |
| Is Pains | False |
| Subclass | Fatty aldehydes |
| Molecular Formula | C15H26O |
| Inchi Key | STNNDCBSPFQUIQ-QBFSEMIESA-N |
| Rotatable Bond Count | 11.0 |
| Synonyms | 2-tetradecenal, 4-methylene-, (2e)-, 4-Methylene-(2e)-2-tetradecenal, a-Triticene, Α-triticene, 4-Methylene-(2E)-2-tetradecenal |
| Compound Name | alpha-Triticene |
| Kingdom | Organic compounds |
| Exact Mass | 222.198 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 222.198 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 222.37 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Inchi | InChI=1S/C15H26O/c1-3-4-5-6-7-8-9-10-12-15(2)13-11-14-16/h11,13-14H,2-10,12H2,1H3/b13-11- |
| Smiles | CCCCCCCCCCC(=C)/C=C\C=O |
| Defined Bond Stereocenter Count | 1.0 |
| Taxonomy Direct Parent | Fatty aldehydes |
- 1. Outgoing r'ship
FOUND_INto/from Triticum Aestivum (Plant) Rel Props:Source_db:fooddb_chem_all