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CHEBI:15566 - (1S,3R,4S)-3,4-dihydroxycyclohexane-1-carboxylic acid
| Formula | C7H12O4 |
| Net Charge | 0 |
| Average Mass | 160.169 |
| Monoisotopic Mass | 160.07356 |
| SMILES | O=C(O)[C@H]1CC[C@H](O)[C@H](O)C1 |
| InChI | InChI=1S/C7H12O4/c8-5-2-1-4(7(10)11)3-6(5)9/h4-6,8-9H,1-3H2,(H,10,11)/t4-,5-,6+/m0/s1 |
| InChIKey | PTPROPUVXIZJPL-HCWXCVPCSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (1S,3R,4S)-3,4-dihydroxycyclohexane-1-carboxylic acid (CHEBI:15566) has functional parent cyclohexanecarboxylic acid (CHEBI:36096) |
| (1S,3R,4S)-3,4-dihydroxycyclohexane-1-carboxylic acid (CHEBI:15566) is a hydroxy monocarboxylic acid (CHEBI:35868) |
| (1S,3R,4S)-3,4-dihydroxycyclohexane-1-carboxylic acid (CHEBI:15566) is conjugate acid of (1S,3R,4S)-3,4-dihydroxycyclohexane-1-carboxylate (CHEBI:57413) |
| Incoming Relation(s) |
| (1S,3R,4S)-3,4-dihydroxycyclohexane-1-carboxylate (CHEBI:57413) is conjugate base of (1S,3R,4S)-3,4-dihydroxycyclohexane-1-carboxylic acid (CHEBI:15566) |
| IUPAC Name |
|---|
| (1S,3R,4S)-3,4-dihydroxycyclohexane-1-carboxylic acid |
| Synonyms | Source |
|---|---|
| (1S,3R,4S)-3,4-Dihydroxycyclohexane-1-carboxylate | KEGG COMPOUND |
| (1S,3R,4S)-3,4-dihydroxycyclohexane-1-carboxylate | ChEBI |