5-Methylcytosine in DNA

Properties Image MNX_ID MNXM729219 reference keggC:C02967 formula C20H32N3O17P3*2 global charge 0 mol weight   InChIKey   InChI   SMILES [*][C@H]1C[C@H](OP(=O)(O)OC[C@H]2O[C@@H](N3C=C(C)C(N)=NC3=O)C[C@@H]2OP(=O)(O)OC[C@H]2O[C@@H]([*])C[C@@H]2O)[C@@H](COP(=O)(O)O)O1 MNX internals InChI (mnx) InChI=1/C22H38N3O17P3/c1-11-7-25(22(27)24-21(11)23)20-6-16(42-44(31,32)36-8-17-14(26)4-12(2)38-17)19(40-20)10-37-45(33,34)41-15-5-13(3)39-18(15)9-35-43(28,29)30/h7,12-20,26H,4-6,8-10H2,1-3H3,(H,31,32)(H,33,34)(H2,23,24,27)(H2,28,29,30)/t12-,13-,14-,15-,16-,17+,18+,19+,20+/m0/s1/i2+1,3+1 SMILES (mnx) [CH3:1][C:11]1=[CH:7][N:25]([C@H:20]2[CH2:6][C@H:16]([O:42][P:44]([OH:31])(=[O:32])[O:36][CH2:8][C@@H:17]3[C@@H:14]([OH:26])[CH2:4][C@H:12]([13CH3:2])[O:38]3)[C@@H:19]([CH2:10][O:37][P:45]([OH:33])(=[O:34])[O:41][C@H:15]3[CH2:5][C@H:13]([13CH3:3])[O:39][C@@H:18]3[CH2:9][O:35][P:43]([OH:28])([OH:29])=[O:30])[O:40]2)[C:22]([OH:27])=[N:24][C:21]1=[NH:23]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 3 in models (compartimentalized) 1