(2S)-4-(2-aminophenyl)-2-azaniumyl-4-oxobutanoate CDK 2/12/10,15:27 15 15 0 0 0 0 0 0 0 0999 V2000 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -1.6500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2869 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.6500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 2 2 0 0 0 0 14 1 1 0 0 0 0 2 3 1 0 0 0 0 14 4 2 0 0 0 0 5 4 1 0 0 0 0 3 5 2 0 0 0 0 6 7 1 0 0 0 0 6 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 1 0 0 0 10 12 2 0 0 0 0 10 13 1 0 0 0 0 14 15 1 0 0 0 0 M CHG 1 11 1 M CHG 1 13 -1 M END > CHEBI:57959 > L-kynurenine zwitterion > Zwitterionic form of L-kynurenine arising from transfer of a proton from the carboxy to the amino group; major species at pH 7.3. > 3 > L-kynurenine; (2S)-4-(2-aminophenyl)-2-ammonio-4-oxobutanoate > (2S)-4-(2-aminophenyl)-2-azaniumyl-4-oxobutanoate > C10H12N2O3 > 208.21390 > 208.08479 > 0 > Nc1ccccc1C(=O)C[C@H]([NH3+])C([O-])=O > InChI=1S/C10H12N2O3/c11-7-4-2-1-3-6(7)9(13)5-8(12)10(14)15/h1-4,8H,5,11-12H2,(H,14,15)/t8-/m0/s1 > YGPSJZOEDVAXAB-QMMMGPOBSA-N > CPD-14736 $$$$