2'-deoxy-5-hydroxymethyl-CTP

Properties Image MNX_ID MNXM92861 reference chebi:836 formula C10H18N3O14P3 global charge 0 mol weight 497.183 InChIKey DLHNIFPAUZVLLA-XLPZGREQSA-N InChI InChI=1S/C10H18N3O14P3/c11-9-5(3-14)2-13(10(16)12-9)8-1-6(15)7(25-8)4-24-29(20,21)27-30(22,23)26-28(17,18)19/h2,6-8,14-15H,1,3-4H2,(H,20,21)(H,22,23)(H2,11,12,16)(H2,17,18,19)/t6-,7+,8+/m0/s1 SMILES NC1=NC(=O)N([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)C=C1CO MNX internals InChI (mnx) InChI=1/C10H18N3O14P3/c11-9-5(3-14)2-13(10(16)12-9)8-1-6(15)7(25-8)4-24-29(20,21)27-30(22,23)26-28(17,18)19/h2,6-8,14-15H,1,3-4H2,(H,20,21)(H,22,23)(H2,11,12,16)(H2,17,18,19)/t6-,7+,8+/m0/s1 SMILES (mnx) [CH2:1]1[C@H:6]([OH:15])[C@@H:7]([CH2:4][O:24][P:29]([OH:20])(=[O:21])[O:27][P:30]([OH:22])(=[O:23])[O:26][P:28]([OH:17])([OH:18])=[O:19])[O:25][C@H:8]1[N:13]1[CH:2]=[C:5]([CH2:3][OH:14])[C:9](=[NH:11])[N:12]=[C:10]1[OH:16]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 0