EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:2040 - (2Z,4E)-5-hydroxypenta-2,4-diene-1,2,5-tricarboxylic acid
| Formula | C8H8O7 |
| Net Charge | 0 |
| Average Mass | 216.145 |
| Monoisotopic Mass | 216.02700 |
| SMILES | O=C(O)C/C(=C/C=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)/b4-1-,5-2+ |
| InChIKey | HJIBROWPWNLWHX-AGRHYVPTSA-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) |
| (2Z,4E)-5-hydroxypenta-2,4-diene-1,2,5-tricarboxylic acid (CHEBI:2040) is a 5-hydroxypenta-2,4-diene-1,2,5-tricarboxylic acid (CHEBI:47959) |
| (2Z,4E)-5-hydroxypenta-2,4-diene-1,2,5-tricarboxylic acid (CHEBI:2040) is conjugate acid of (2Z,4E)-5-hydroxypenta-2,4-diene-1,2,5-tricarboxylate(3−) (CHEBI:15376) |
| Incoming Relation(s) |
| (2Z,4E)-5-hydroxypenta-2,4-diene-1,2,5-tricarboxylate(3−) (CHEBI:15376) is conjugate base of (2Z,4E)-5-hydroxypenta-2,4-diene-1,2,5-tricarboxylic acid (CHEBI:2040) |
| IUPAC Name |
|---|
| (2Z,4E)-5-hydroxypenta-2,4-diene-1,2,5-tricarboxylic acid |
| Synonym | Source |
|---|---|
| 5-Carboxymethyl-2-hydroxymuconate | KEGG COMPOUND |