Enocitabine

Properties Image MNX_ID MNXM52102 reference chebi:31537 formula C31H55N3O6 global charge 0 mol weight 565.796 InChIKey SAMRUMKYXPVKPA-VFKOLLTISA-N InChI InChI=1S/C31H55N3O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-27(36)32-26-22-23-34(31(39)33-26)30-29(38)28(37)25(24-35)40-30/h22-23,25,28-30,35,37-38H,2-21,24H2,1H3,(H,32,33,36,39)/t25-,28-,29+,30-/m1/s1 SMILES CCCCCCCCCCCCCCCCCCCCCC(=O)NC1=NC(=O)N([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)C=C1 MNX internals InChI (mnx) InChI=1/C31H55N3O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-27(36)32-26-22-23-34(31(39)33-26)30-29(38)28(37)25(24-35)40-30/h22-23,25,28-30,35,37-38H,2-21,24H2,1H3,(H,32,33,36,39)/t25-,28-,29+,30-/m1/s1 SMILES (mnx) [CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][C:27]([N:32]=[C:26]1[CH:22]=[CH:23][N:34]([C@H:30]2[C@@H:29]([OH:38])[C@H:28]([OH:37])[C@@H:25]([CH2:24][OH:35])[O:40]2)[C:31]([OH:39])=[N:33]1)=[O:36]

Parent-child relations graph

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