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CHEBI:16098 - 4-(L-alanin-3-yl)-2-hydroxy-cis,cis-muconate 6-semialdehyde
| Formula | C9H11NO6 |
| Net Charge | 0 |
| Average Mass | 229.188 |
| Monoisotopic Mass | 229.05864 |
| SMILES | [H]C(=O)/C=C(\C=C(\O)C(=O)O)C[C@H](N)C(=O)O |
| InChI | InChI=1S/C9H11NO6/c10-6(8(13)14)3-5(1-2-11)4-7(12)9(15)16/h1-2,4,6,12H,3,10H2,(H,13,14)(H,15,16)/b5-1-,7-4+/t6-/m0/s1 |
| InChIKey | FNEGJFDTWWXQES-QTWONPPNSA-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) |
| 4-(L-alanin-3-yl)-2-hydroxy-cis,cis-muconate 6-semialdehyde (CHEBI:16098) is a (L-alanin-3-yl)-2-hydroxy-cis,cis-muconate 6-semialdehyde (CHEBI:18634) |
| 4-(L-alanin-3-yl)-2-hydroxy-cis,cis-muconate 6-semialdehyde (CHEBI:16098) is conjugate acid of 4-(L-alanin-3-yl)-2-hydroxy-cis,cis-muconate 6-semialdehyde(1−) (CHEBI:57639) |
| Incoming Relation(s) |
| 4-(L-alanin-3-yl)-2-hydroxy-cis,cis-muconate 6-semialdehyde(1−) (CHEBI:57639) is conjugate base of 4-(L-alanin-3-yl)-2-hydroxy-cis,cis-muconate 6-semialdehyde (CHEBI:16098) |
| IUPAC Name |
|---|
| (2E,4Z,6S)-6-amino-2-hydroxy-4-(2-oxoethylidene)hept-2-enedioic acid |
| Synonyms | Source |
|---|---|
| (2E,4Z)-4-(L-alanin-3-yl)-2-hydroxy-6-oxohexa-2,4-dienoic acid | ChEBI |
| 4-(L-Alanin-3-yl)-2-hydroxy-cis,cis-muconate 6-semialdehyde | KEGG COMPOUND |