Chemical Component Summary | |
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Name | N'-Formylkynurenine |
Synonyms | (2S)-2-amino-4-[2-(formylamino)phenyl]-4-oxobutanoic acid |
Identifiers | (2~{S})-2-azanyl-4-(2-formamidophenyl)-4-oxidanylidene-butanoic acid |
Formula | C11 H12 N2 O4 |
Molecular Weight | 236.224 |
Type | NON-POLYMER |
Isomeric SMILES | c1ccc(c(c1)C(=O)C[C@@H](C(=O)O)N)NC=O |
InChI | InChI=1S/C11H12N2O4/c12-8(11(16)17)5-10(15)7-3-1-2-4-9(7)13-6-14/h1-4,6,8H,5,12H2,(H,13,14)(H,16,17)/t8-/m0/s1 |
InChIKey | BYHJHXPTQMMKCA-QMMMGPOBSA-N |
Chemical Details | |
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Formal Charge | 0 |
Atom Count | 29 |
Chiral Atom Count | 1 |
Bond Count | 29 |
Aromatic Bond Count | 6 |
Related Resource References
Resource Name | Reference |
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PubChem | 439788, 25202092 |
ChEMBL | CHEMBL3577708 |
ChEBI | CHEBI:58629, CHEBI:30249 |