a beta-D-glucosyl-(1->4)-beta-D-glucosyl-hydroxymethylcytosine in DNA

Properties Image MNX_ID MNXM18119 reference metacycM:Gluc-Glycosyl-Hydroxymethylcytosine-DNAs formula C22H33N3O21P2*2 global charge -2 mol weight   InChIKey   InChI   SMILES [*]OP(=O)([O-])OC[C@H]1O[C@@H](N2C=C(CO[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)C(N)=NC2=O)C[C@@H]1OP(=O)([O-])O[*] MNX internals InChI (mnx) InChI=1/C24H41N3O21P2/c1-40-49(36,37)43-8-13-10(48-50(38,39)41-2)3-14(44-13)27-4-9(21(25)26-24(27)35)7-42-22-19(34)17(32)20(12(6-29)46-22)47-23-18(33)16(31)15(30)11(5-28)45-23/h4,10-20,22-23,28-34H,3,5-8H2,1-2H3,(H,36,37)(H,38,39)(H2,25,26,35)/t10-,11+,12+,13+,14+,15+,16-,17+,18+,19+,20+,22+,23-/m0/s1/i1+1,2+1 SMILES (mnx) [13CH3:1][O:40][P:49]([OH:36])(=[O:37])[O:43][CH2:8][C@@H:13]1[C@@H:10]([O:48][P:50]([OH:38])(=[O:39])[O:41][13CH3:2])[CH2:3][C@H:14]([N:27]2[CH:4]=[C:9]([CH2:7][O:42][C@H:22]3[C@H:19]([OH:34])[C@@H:17]([OH:32])[C@H:20]([O:47][C@H:23]4[C@H:18]([OH:33])[C@@H:16]([OH:31])[C@H:15]([OH:30])[C@@H:11]([CH2:5][OH:28])[O:45]4)[C@@H:12]([CH2:6][OH:29])[O:46]3)[C:21](=[NH:25])[N:26]=[C:24]2[OH:35])[O:44]1

Parent-child relations graph

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