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CHEBI:58818 - (1R,2S,5S,6S)-2-(3-carboxylatopropanoyl)-5-[(1-carboxylatovinyl)oxy]-6-hydroxycyclohex-3-ene-1-carboxylate
| Formula | C14H13O9 |
| Net Charge | -3 |
| Average Mass | 325.249 |
| Monoisotopic Mass | 325.05760 |
| SMILES | C=C(O[C@H]1C=C[C@H](C(=O)CCC(=O)[O-])[C@@H](C(=O)[O-])[C@@H]1O)C(=O)[O-] |
| InChI | InChI=1S/C14H16O9/c1-6(13(19)20)23-9-4-2-7(8(15)3-5-10(16)17)11(12(9)18)14(21)22/h2,4,7,9,11-12,18H,1,3,5H2,(H,16,17)(H,19,20)(H,21,22)/p-3/t7-,9+,11-,12-/m1/s1 |
| InChIKey | XYCATPIYKOARSZ-OAIFWDMCSA-K |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (1R,2S,5S,6S)-2-(3-carboxylatopropanoyl)-5-[(1-carboxylatovinyl)oxy]-6-hydroxycyclohex-3-ene-1-carboxylate (CHEBI:58818) is a tricarboxylic acid trianion (CHEBI:27092) |
| (1R,2S,5S,6S)-2-(3-carboxylatopropanoyl)-5-[(1-carboxylatovinyl)oxy]-6-hydroxycyclohex-3-ene-1-carboxylate (CHEBI:58818) is conjugate base of (1R,2S,5S,6S)-2-(3-carboxypropanoyl)-5-[(1-carboxyvinyl)oxy]-6-hydroxycyclohex-3-ene-1-carboxylic acid (CHEBI:50271) |
| Incoming Relation(s) |
| (1R,2S,5S,6S)-2-(3-carboxypropanoyl)-5-[(1-carboxyvinyl)oxy]-6-hydroxycyclohex-3-ene-1-carboxylic acid (CHEBI:50271) is conjugate acid of (1R,2S,5S,6S)-2-(3-carboxylatopropanoyl)-5-[(1-carboxylatovinyl)oxy]-6-hydroxycyclohex-3-ene-1-carboxylate (CHEBI:58818) |
| IUPAC Name |
|---|
| (1R,2S,5S,6S)-2-(3-carboxylatopropanoyl)-5-[(1-carboxylatoethenyl)oxy]-6-hydroxycyclohex-3-ene-1-carboxylate |
| Synonym | Source |
|---|---|
| (1R,2S,5S,6S)-2-(3-carboxylatopropanoyl)-5-[(1-carboxylatovinyl)oxy]-6-hydroxycyclohex-3-ene-1-carboxylate | ChEBI |
| UniProt Name | Source |
|---|---|
| 5-enolpyruvoyl-6-hydroxy-2-succinyl-cyclohex-3-ene-1-carboxylate | UniProt |
| Registry Numbers | Sources |
|---|---|
| Beilstein:11278469 | Beilstein |