S-[2-(N7-Guanyl)ethyl]-N-acetyl-L-cysteine

Properties Image MNX_ID MNXM12915 reference chebi:34964 formula C12H16N6O4S global charge 0 mol weight 340.365 InChIKey QTHQULFDYKSQCN-ZETCQYMHSA-N InChI InChI=1S/C12H16N6O4S/c1-6(19)15-7(11(21)22)4-23-3-2-18-5-14-9-8(18)10(20)17-12(13)16-9/h5,7H,2-4H2,1H3,(H,15,19)(H,21,22)(H3,13,16,17,20)/t7-/m0/s1 SMILES CC(=O)N[C@@H](CSCCN1C=NC2=C1C(=O)NC(N)=N2)C(=O)O MNX internals InChI (mnx) InChI=1/C12H16N6O4S/c1-6(19)15-7(11(21)22)4-23-3-2-18-5-14-9-8(18)10(20)17-12(13)16-9/h5,7H,2-4H2,1H3,(H,15,19)(H,21,22)(H3,13,16,17,20)/t7-/m0/s1 SMILES (mnx) [CH3:1][C:6](=[N:15][C@@H:7]([CH2:4][S:23][CH2:3][CH2:2][N:18]1[CH:5]=[N:14][C:9]2=[C:8]1[C:10]([OH:20])=[N:17][C:12](=[NH:13])[NH:16]2)[C:11](=[O:21])[OH:22])[OH:19]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 0