Chemical Component Summary

NameN'-Formylkynurenine
Synonyms(2S)-2-amino-4-[2-(formylamino)phenyl]-4-oxobutanoic acid
Identifiers(2~{S})-2-azanyl-4-(2-formamidophenyl)-4-oxidanylidene-butanoic acid
FormulaC11 H12 N2 O4
Molecular Weight236.224
TypeNON-POLYMER
Isomeric SMILESc1ccc(c(c1)C(=O)C[C@@H](C(=O)O)N)NC=O
InChIInChI=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
InChIKeyBYHJHXPTQMMKCA-QMMMGPOBSA-N

Chemical Details

Formal Charge0
Atom Count29
Chiral Atom Count1
Bond Count29
Aromatic Bond Count6

Related Resource References

Resource NameReference
PubChem 25202092, 439788
ChEMBL CHEMBL3577708
ChEBI CHEBI:58629, CHEBI:30249