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CHEBI:10472 - 3-[(5S,6R)-5,6-dihydroxycyclohexa-1,3-dienyl]propanoic acid
| Formula | C9H12O4 |
| Net Charge | 0 |
| Average Mass | 184.191 |
| Monoisotopic Mass | 184.07356 |
| SMILES | O=C(O)CCC1=CC=C[C@H](O)[C@@H]1O |
| InChI | InChI=1S/C9H12O4/c10-7-3-1-2-6(9(7)13)4-5-8(11)12/h1-3,7,9-10,13H,4-5H2,(H,11,12)/t7-,9+/m0/s1 |
| InChIKey | RKDFGWAXBBGKMR-IONNQARKSA-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) |
| 3-[(5S,6R)-5,6-dihydroxycyclohexa-1,3-dienyl]propanoic acid (CHEBI:10472) is a 3-(cis-5,6-dihydroxycyclohexa-1,3-dienyl)propanoic acid (CHEBI:48691) |
| 3-[(5S,6R)-5,6-dihydroxycyclohexa-1,3-dienyl]propanoic acid (CHEBI:10472) is conjugate acid of 3-[(5S,6R)-5,6-dihydroxycyclohexa-1,3-dienyl]propanoate (CHEBI:60089) |
| 3-[(5S,6R)-5,6-dihydroxycyclohexa-1,3-dienyl]propanoic acid (CHEBI:10472) is enantiomer of 3-[(5R,6S)-5,6-dihydroxycyclohexa-1,3-dienyl]propanoic acid (CHEBI:48690) |
| Incoming Relation(s) |
| 3-[(5S,6R)-5,6-dihydroxycyclohexa-1,3-dienyl]propanoate (CHEBI:60089) is conjugate base of 3-[(5S,6R)-5,6-dihydroxycyclohexa-1,3-dienyl]propanoic acid (CHEBI:10472) |
| 3-[(5R,6S)-5,6-dihydroxycyclohexa-1,3-dienyl]propanoic acid (CHEBI:48690) is enantiomer of 3-[(5S,6R)-5,6-dihydroxycyclohexa-1,3-dienyl]propanoic acid (CHEBI:10472) |
| IUPAC Name |
|---|
| 3-[(5S,6R)-5,6-dihydroxycyclohexa-1,3-dien-1-yl]propanoic acid |
| Synonyms | Source |
|---|---|
| cis-3-(Carboxy-ethyl)-3,5-cyclo-hexadiene-1,2-diol | KEGG COMPOUND |
| cis-3-(2-Carboxy-ethyl)-3,5-cyclo-hexadiene-1,2-diol | KEGG COMPOUND |
| Manual Xrefs | Databases |
|---|---|
| C11588 | KEGG COMPOUND |