In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 6th, 2004 | 9 | No |
Popular Name: CHEBI:1256 CHEBI:1256
Find On: PubMed — Wikipedia — Google
CAS Numbers: 13022-85-0 , 2492-75-3
2-ketocaproate; 2-oxohexanoate; alpha-ketocaproate
2-Ketohexanoic acid sodium salt
2-Oxohexanoate; 2-Oxohexanoic acid; 2492-75-3; C00902; alpha-Ketocaproic acid
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 0.67 | 1.41 | -43.62 | 0 | 3 | -1 | 57 | 129.135 | 4 | ↓ |
Note Type | Comments | Provided By |
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UniProt Database Links | MAM1_ARATH | ChEBI |
Patent Database Links | US2005124040 | ChEBI |