a 5-methylcytosine in DNA

Properties Image MNX_ID MNXM729221 reference metacycM:5-Methylcytosine-DNA formula C10H13N3O10P2*2 global charge -2 mol weight   InChIKey   InChI   SMILES [*]OP(=O)([O-])OC[C@H]1O[C@@H](N2C=C(C)C(N)=NC2=O)C[C@@H]1OP(=O)([O-])O[*] MNX internals InChI (mnx) InChI=1/C12H21N3O10P2/c1-7-5-15(12(16)14-11(7)13)10-4-8(25-27(19,20)22-3)9(24-10)6-23-26(17,18)21-2/h5,8-10H,4,6H2,1-3H3,(H,17,18)(H,19,20)(H2,13,14,16)/t8-,9+,10+/m0/s1/i2+1,3+1 SMILES (mnx) [CH3:1][C:7]1=[CH:5][N:15]([C@H:10]2[CH2:4][C@H:8]([O:25][P:27]([OH:19])(=[O:20])[O:22][13CH3:3])[C@@H:9]([CH2:6][O:23][P:26]([OH:17])(=[O:18])[O:21][13CH3:2])[O:24]2)[C:12]([OH:16])=[N:14][C:11]1=[NH:13]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 4 in models (compartimentalized) 0