Structure via PubChem · Public domain (PubChem)
3-dehydroshikimic acid
Sign in to saveAlso known as 5-dehydroshikimic acid, (-)-3-dehydroshikimic acid, 3-Dehydroshikimate
chemical compound
Chemical data
- Formula
- C7H8O5
- Molecular weight
- 172.13 g/mol
- IUPAC name
- (4S,5R)-4,5-dihydroxy-3-oxocyclohexene-1-carboxylic acid
- SMILES
- C1[C@H]([C@@H](C(=O)C=C1C(=O)O)O)O
- InChIKey
- SLWWJZMPHJJOPH-PHDIDXHHSA-N
- XLogP
- -1.4
- Polar surface area
- 94.8 Ų
- H-bond donors
- 3
- H-bond acceptors
- 5
- Formal charge
- 0
via PubChem
Wikidata facts
- Subclass of
- chemical compound
- Mass
- 172.037
Show 5 more facts
- chemical formula
- C₇H₈O₅
- canonical SMILES
- C1C(C(C(=O)C=C1C(=O)O)O)O
- isomeric SMILES
- C1[C@H]([C@@H](C(=O)C=C1C(=O)O)O)O
- found in taxon
- Phaseolus vulgaris
- subject has role
- primary metabolite
via Wikidata · CC0