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CHEBI:49081 - 6-(2-amino-2-carboxyethyl)-7,8-dioxo-1,2,3,4,7,8-hexahydroquinoline-2,4-dicarboxylic acid
| Formula | C14H14N2O8 |
| Net Charge | 0 |
| Average Mass | 338.272 |
| Monoisotopic Mass | 338.07502 |
| SMILES | NC(CC1=CC2=C(NC(C(=O)O)CC2C(=O)O)C(=O)C1=O)C(=O)O |
| InChI | InChI=1S/C14H14N2O8/c15-7(13(21)22)2-4-1-5-6(12(19)20)3-8(14(23)24)16-9(5)11(18)10(4)17/h1,6-8,16H,2-3,15H2,(H,19,20)(H,21,22)(H,23,24) |
| InChIKey | UMYDVEVERVKIFT-UHFFFAOYSA-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) |
| 6-(2-amino-2-carboxyethyl)-7,8-dioxo-1,2,3,4,7,8-hexahydroquinoline-2,4-dicarboxylic acid (CHEBI:49081) is a organic heterobicyclic compound (CHEBI:27171) |
| 6-(2-amino-2-carboxyethyl)-7,8-dioxo-1,2,3,4,7,8-hexahydroquinoline-2,4-dicarboxylic acid (CHEBI:49081) is a orthoquinones (CHEBI:25622) |
| 6-(2-amino-2-carboxyethyl)-7,8-dioxo-1,2,3,4,7,8-hexahydroquinoline-2,4-dicarboxylic acid (CHEBI:49081) is a tricarboxylic acid (CHEBI:27093) |
| 6-(2-amino-2-carboxyethyl)-7,8-dioxo-1,2,3,4,7,8-hexahydroquinoline-2,4-dicarboxylic acid (CHEBI:49081) is conjugate acid of 6-(2-azaniumyl-2-carboxylatoethyl)-7,8-dioxo-1,2,3,4,7,8-hexahydroquinoline-2,4-dicarboxylate (CHEBI:58778) |
| Incoming Relation(s) |
| 6-(2-azaniumyl-2-carboxylatoethyl)-7,8-dioxo-1,2,3,4,7,8-hexahydroquinoline-2,4-dicarboxylate (CHEBI:58778) is conjugate base of 6-(2-amino-2-carboxyethyl)-7,8-dioxo-1,2,3,4,7,8-hexahydroquinoline-2,4-dicarboxylic acid (CHEBI:49081) |
| IUPAC Name |
|---|
| 6-(2-amino-2-carboxyethyl)-7,8-dioxo-1,2,3,4,7,8-hexahydroquinoline-2,4-dicarboxylic acid |
| Synonym | Source |
|---|---|
| 6-(2-Amino-2-carboxyethyl)-7,8-dioxo-1,2,3,4,7,8-hexahydroquinoline-2,4-dicarboxylic acid | KEGG COMPOUND |
| Manual Xrefs | Databases |
|---|---|
| C15599 | KEGG COMPOUND |