S-adenosyl-D-methionine

Properties Image MNX_ID MNXM491072 reference chebi:156255 formula C15H23N6O5S global charge 1 mol weight 399.453 InChIKey MEFKEPWMEQBLKI-XCPQSEKJSA-O InChI InChI=1S/C15H22N6O5S/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25)/p+1/t7-,8-,10-,11-,14-,27?/m1/s1 SMILES C[S+](CC[C@@H](N)C(=O)O)C[C@H]1O[C@@H](N2C=NC3=C2N=CN=C3N)[C@H](O)[C@@H]1O MNX internals InChI (mnx) InChI=1/C15H22N6O5S/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25)/t7-,8-,10-,11-,14-,27?/m1/s1 SMILES (mnx) [CH3:1][S+:27]([CH2:3][CH2:2][C@H:7]([C:15](=[O:24])[O-:25])[NH2:16])[CH2:4][C@@H:8]1[C@@H:10]([OH:22])[C@@H:11]([OH:23])[C@H:14]([N:21]2[CH:6]=[N:20][C:9]3=[C:12]([NH2:17])[N:18]=[CH:5][N:19]=[C:13]32)[O:26]1

Parent-child relations graph

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