3-Hexenyl pyruvate, (3Z)-
PubChem CID: 5363291
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| Compound Synonyms | cis-3-Hexenyl pyruvate, 68133-76-6, (Z)-3-Hexenyl pyruvate, (Z)-Hex-3-enyl pyruvate, [(Z)-hex-3-enyl] 2-oxopropanoate, 3-Hexenyl pyruvate, (3Z)-, Propanoic acid, 2-oxo-, (3Z)-3-hexen-1-yl ester, Pyruvic Acid cis-3-Hexen-1-yl Ester, Propanoic acid, 2-oxo-, (3Z)-3-hexenyl ester, Pyruvic acid, 3-hexenyl ester, 74TLP5254U, EINECS 268-703-7, Propanoic acid, 2-oxo-, 3-hexenyl ester, (Z)-, PYRUVICACIDCIS-3-HEXEN-1-YLESTER, FEMA NO. 3934, DTXSID20887178, (3Z)-hex-3-en-1-yl 2-oxopropanoate, (Z)-3-HEXENYL PYRUVATE [FHFI], cis-3-Hexenylpyruvate, UNII-74TLP5254U, MFCD00036527, (3Z)-3-hexenyl pyruvate, Propanoic acid, 2-oxo-,(3Z)-3-hexen-1-yl ester, SCHEMBL808519, (z)-3-hexenyl 2-oxopropanoate, FEMA 3934, CHEBI:173782, Pyruvic Acid cis-3-Hexenyl Ester, DTXCID501026490, (3Z)-3-Hexenyl 2-oxopropanoate #, (Z)-hex-3-en-1-yl 2-oxopropanoate, AKOS025295628, 2-Oxo-3-hexenyl ester(Z)-Propanoic acid, CS-0454884, NS00062762, P0894, D92037, Q27266303, 268-703-7 |
|---|---|
| Topological Polar Surface Area | 43.4 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 12.0 |
| Description | Cis-3-hexenyl pyruvate belongs to alpha-keto acids and derivatives class of compounds. Those are organic compounds containing an aldehyde substituted with a keto group on the adjacent carbon. Cis-3-hexenyl pyruvate is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). Cis-3-hexenyl pyruvate has a banana peel, cucumber skin, and green taste. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 182.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | [(Z)-hex-3-enyl] 2-oxopropanoate |
| Nih Violation | True |
| Class | Keto acids and derivatives |
| Xlogp | 1.8 |
| Superclass | Organic acids and derivatives |
| Is Pains | False |
| Subclass | Alpha-keto acids and derivatives |
| Molecular Formula | C9H14O3 |
| Inchi Key | LKNXTZXOBHAYSR-PLNGDYQASA-N |
| Rotatable Bond Count | 6.0 |
| Synonyms | cis-3-Hexenyl pyruvic acid, (Z)-3-Hexenyl pyruvate, (Z)-Hex-3-enyl pyruvate, 2-oxo-3-Hexenyl ester(Z)-propanoic acid, cis-3-Hexenylpyruvate, FEMA 3934, Propanoic acid, 2-oxo-, (3Z)-3-hexen-1-yl ester, Propanoic acid, 2-oxo-, (3Z)-3-hexenyl ester, Pyruvic acid, 3-hexenyl ester, (3Z)-Hex-3-en-1-yl 2-oxopropanoic acid, cis-3-Hexen-1-yl pyruvic acid |
| Compound Name | 3-Hexenyl pyruvate, (3Z)- |
| Kingdom | Organic compounds |
| Exact Mass | 170.094 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 170.094 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 170.21 |
| 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/C9H14O3/c1-3-4-5-6-7-12-9(11)8(2)10/h4-5H,3,6-7H2,1-2H3/b5-4- |
| Smiles | CC/C=C\CCOC(=O)C(=O)C |
| Defined Bond Stereocenter Count | 1.0 |
| Taxonomy Direct Parent | Alpha-keto acids and derivatives |
- 1. Outgoing r'ship
FOUND_INto/from Apium Graveolens (Plant) Rel Props:Source_db:fooddb_chem_all