2-Methylthio-AMP

Properties Image MNX_ID MNXM1133046 reference sabiorkM:31727 formula C11H16N5O7PS global charge 0 mol weight 393.318 InChIKey XVTFTCNRRAQHEQ-KQYNXXCUSA-N InChI InChI=1S/C11H16N5O7PS/c1-25-11-14-8(12)5-9(15-11)16(3-13-5)10-7(18)6(17)4(23-10)2-22-24(19,20)21/h3-4,6-7,10,17-18H,2H2,1H3,(H2,12,14,15)(H2,19,20,21)/t4-,6-,7-,10-/m1/s1 SMILES CSC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)C(N)=N1 MNX internals InChI (mnx) InChI=1/C11H16N5O7PS/c1-25-11-14-8(12)5-9(15-11)16(3-13-5)10-7(18)6(17)4(23-10)2-22-24(19,20)21/h3-4,6-7,10,17-18H,2H2,1H3,(H2,12,14,15)(H2,19,20,21)/t4-,6-,7-,10-/m1/s1 SMILES (mnx) [CH3:1][S:25][C:11]1=[N:15][C:9]2=[C:5]([C:8]([NH2:12])=[N:14]1)[N:13]=[CH:3][N:16]2[C@H:10]1[C@H:7]([OH:18])[C@H:6]([OH:17])[C@@H:4]([CH2:2][O:22][P:24]([OH:19])([OH:20])=[O:21])[O:23]1

Parent-child relations graph

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