EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C9H11O4 |
| Net Charge | -1 |
| Average Mass | 183.183 |
| Monoisotopic Mass | 183.06628 |
| 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)/p-1/t7-,9+/m1/s1 |
| InChIKey | RKDFGWAXBBGKMR-APPZFPTMSA-M |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3-(cis-5,6-dihydroxycyclohexa-1,3-dienyl)propanoate (CHEBI:60087) is a cyclohexadienediol (CHEBI:23469) |
| 3-(cis-5,6-dihydroxycyclohexa-1,3-dienyl)propanoate (CHEBI:60087) is a monocarboxylic acid anion (CHEBI:35757) |
| 3-(cis-5,6-dihydroxycyclohexa-1,3-dienyl)propanoate (CHEBI:60087) is conjugate base of 3-(cis-5,6-dihydroxycyclohexa-1,3-dienyl)propanoic acid (CHEBI:48691) |
| Incoming Relation(s) |
| 3-[(5R,6S)-5,6-dihydroxycyclohexa-1,3-dienyl]propanoate (CHEBI:60088) is a 3-(cis-5,6-dihydroxycyclohexa-1,3-dienyl)propanoate (CHEBI:60087) |
| 3-[(5S,6R)-5,6-dihydroxycyclohexa-1,3-dienyl]propanoate (CHEBI:60089) is a 3-(cis-5,6-dihydroxycyclohexa-1,3-dienyl)propanoate (CHEBI:60087) |
| 3-(cis-5,6-dihydroxycyclohexa-1,3-dienyl)propanoic acid (CHEBI:48691) is conjugate acid of 3-(cis-5,6-dihydroxycyclohexa-1,3-dienyl)propanoate (CHEBI:60087) |
| IUPAC Name |
|---|
| 3-[rel-(5R,6S)-5,6-dihydroxycyclohexa-1,3-dien-1-yl]propanoate |
| Synonyms | Source |
|---|---|
| 3-(cis-5,6-dihydroxycyclohexa-1,3-dienyl)propanoate | ChEBI |
| 3-(cis-5,6-dihydroxycyclohexa-1,3-dienyl)propionate | ChEBI |
| UniProt Name | Source |
|---|---|
| 3-(cis-5,6-dihydroxycyclohexa-1,3-dien-1-yl)propanoate | UniProt |