EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
We are looking for a new Chemistry curator to join the ChEBI team. Find out more about it here.
CHEBI:12113 - 5-hydroxypenta-2,4-diene-1,2,5-tricarboxylate(3−)
| Formula | C8H5O7 |
| Net Charge | -3 |
| Average Mass | 213.121 |
| Monoisotopic Mass | 213.00517 |
| SMILES | O=C([O-])CC(=CC=C(O)C(=O)[O-])C(=O)[O-] |
| InChI | InChI=1S/C8H8O7/c9-5(8(14)15)2-1-4(7(12)13)3-6(10)11/h1-2,9H,3H2,(H,10,11)(H,12,13)(H,14,15)/p-3 |
| InChIKey | HJIBROWPWNLWHX-UHFFFAOYSA-K |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 5-hydroxypenta-2,4-diene-1,2,5-tricarboxylate(3−) (CHEBI:12113) is a tricarboxylic acid trianion (CHEBI:27092) |
| 5-hydroxypenta-2,4-diene-1,2,5-tricarboxylate(3−) (CHEBI:12113) is conjugate base of 5-hydroxypenta-2,4-diene-1,2,5-tricarboxylic acid (CHEBI:47959) |
| Incoming Relation(s) |
| (2E,4Z)-5-hydroxypenta-2,4-diene-1,2,5-tricarboxylate(3−) (CHEBI:47961) is a 5-hydroxypenta-2,4-diene-1,2,5-tricarboxylate(3−) (CHEBI:12113) |
| (2Z,4E)-5-hydroxypenta-2,4-diene-1,2,5-tricarboxylate(3−) (CHEBI:15376) is a 5-hydroxypenta-2,4-diene-1,2,5-tricarboxylate(3−) (CHEBI:12113) |
| 5-hydroxypenta-2,4-diene-1,2,5-tricarboxylic acid (CHEBI:47959) is conjugate acid of 5-hydroxypenta-2,4-diene-1,2,5-tricarboxylate(3−) (CHEBI:12113) |
| IUPAC Name |
|---|
| 5-hydroxypenta-2,4-diene-1,2,5-tricarboxylate |