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CHEBI:42252 - 3-(4-CARBAMOYL-1-CARBOXY-2-METHYLSULFONYL-BUTA-1,3-DIENYLAMINO)-INDOLIZINE-2-CARBOXYLIC ACID
| Formula | C16H15N3O6S |
| Net Charge | 0 |
| Average Mass | 377.378 |
| Monoisotopic Mass | 377.06816 |
| SMILES | [H]OC(=O)/C(=C(C(\[H])=C(/[H])C(=O)N([H])[H])/C([H])([H])S([H])(=O)=O)N([H])c1c(C([H])=O)c([H])c2c([H])c([H])c([H])c([H])n12 |
| InChI | InChI=1S/C16H15N3O6S/c17-13(21)5-4-10(9-26(24)25)14(16(22)23)18-15-11(8-20)7-12-3-1-2-6-19(12)15/h1-8,18,26H,9H2,(H2,17,21)(H,22,23)/b5-4+,14-10- |
| InChIKey | ARSFRLAHCNFFCE-IBXIYJDRSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3-(4-CARBAMOYL-1-CARBOXY-2-METHYLSULFONYL-BUTA-1,3-DIENYLAMINO)-INDOLIZINE-2-CARBOXYLIC ACID (CHEBI:42252) is a unclassifieds (CHEBI:27189) |
| Synonyms | Source |
|---|---|
| (2Z,4E)-6-amino-3-[(dioxidosulfanyl)methyl]-2-[(2-formylindolizin-3-yl)amino]-6-oxohexa-2,4-dienoic acid | PDBeChem |
| 3-(4-CARBAMOYL-1-CARBOXY-2-METHYLSULFONYL-BUTA-1,3-DIENYLAMINO)-INDOLIZINE-2-CARBOXYLIC ACID | PDBeChem |
| Manual Xrefs | Databases |
|---|---|
| DVR | PDBeChem |