1-(Acetyloxy)-2-hydroxy-16-heptadecyn-4-one
PubChem CID: 6710762
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| Compound Synonyms | 1-Acetoxy-2-hydroxy-16-heptadecyn-4-one, AVOCADYNONE ACETATE, 24607-10-1, (2-hydroxy-4-oxoheptadec-16-ynyl) acetate, 74D1OHC38H, UNII-74D1OHC38H, 1,2-Dihydroxy-16-heptadecyne-4-one 1-acetate, DTXSID601263196, 16-Heptadecyn-4-one, 1-(acetyloxy)-2-hydroxy-, 16-Heptadecyn-4-one, 1,2-dihydroxy-, 1-acetate, 2-hydroxy-4-oxoheptadec-16-yn-1-yl acetate, 1-(Acetyloxy)-2-hydroxy-16-heptadecyn-4-one, KBio3_002773, Spectrum2_000300, Spectrum3_001856, Spectrum4_001264, Spectrum5_001604, BSPBio_003272, KBioGR_001848, SPECTRUM1505235, SPBio_000240, SCHEMBL4951546, CHEMBL1488011, CHEBI:171783, DTXCID501693873, CCG-39858, LMFA05000595, SDCCGMLS-0066756.P001, NCGC00095831-01, NCGC00095831-02, Q27266273 |
|---|---|
| Topological Polar Surface Area | 63.6 |
| Hydrogen Bond Donor Count | 1.0 |
| Inchi Key | HZHSVQVECJXVRP-UHFFFAOYSA-N |
| Rotatable Bond Count | 16.0 |
| State | Solid |
| Heavy Atom Count | 23.0 |
| Compound Name | 1-(Acetyloxy)-2-hydroxy-16-heptadecyn-4-one |
| Kingdom | Organic compounds |
| Description | Constituent of avocado (Persea americana). 1-Acetoxy-2-hydroxy-16-heptadecyn-4-one is found in avocado and fruits. |
| Exact Mass | 324.23 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 324.23 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 367.0 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 324.5 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (2-hydroxy-4-oxoheptadec-16-ynyl) acetate |
| Total Atom Stereocenter Count | 1.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Total Bond Stereocenter Count | 0.0 |
| Class | Fatty Acyls |
| Inchi | InChI=1S/C19H32O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-18(21)15-19(22)16-23-17(2)20/h1,19,22H,4-16H2,2H3 |
| Smiles | CC(=O)OCC(CC(=O)CCCCCCCCCCCC#C)O |
| Xlogp | 4.4 |
| Superclass | Lipids and lipid-like molecules |
| Defined Bond Stereocenter Count | 0.0 |
| Subclass | Fatty alcohols |
| Taxonomy Direct Parent | Long-chain fatty alcohols |
| Molecular Formula | C19H32O4 |
- 1. Outgoing r'ship
FOUND_INto/from Persea Americana (Plant) Rel Props:Source_db:fooddb_chem_all