(S)-N(2)-carboxyethylguanosine

Properties Image MNX_ID MNXM31857 reference chebi:62039 formula C13H17N5O7 global charge 0 mol weight 355.307 InChIKey JYXKXKDWVWQIOH-LJRSMJOYSA-N InChI InChI=1S/C13H17N5O7/c1-4(12(23)24)15-13-16-9-6(10(22)17-13)14-3-18(9)11-8(21)7(20)5(2-19)25-11/h3-5,7-8,11,19-21H,2H2,1H3,(H,23,24)(H2,15,16,17,22)/t4-,5+,7+,8+,11+/m0/s1 SMILES C[C@H](NC1=NC2=C(N=CN2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C(=O)N1)C(=O)O MNX internals InChI (mnx) InChI=1/C13H17N5O7/c1-4(12(23)24)15-13-16-9-6(10(22)17-13)14-3-18(9)11-8(21)7(20)5(2-19)25-11/h3-5,7-8,11,19-21H,2H2,1H3,(H,23,24)(H2,15,16,17,22)/t4-,5+,7+,8+,11+/m0/s1 SMILES (mnx) [CH3:1][C@@H:4]([C:12](=[O:23])[OH:24])[N:15]=[C:13]1[NH:16][C:9]2=[C:6]([C:10]([OH:22])=[N:17]1)[N:14]=[CH:3][N:18]2[C@H:11]1[C@H:8]([OH:21])[C@H:7]([OH:20])[C@@H:5]([CH2:2][OH:19])[O:25]1

Parent-child relations graph

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