N,N'-Diacetylchitobiosyldiphosphodolichol, human uterine homolog

Properties Image MNX_ID MNXM1103895 reference biggM:chito2pdol_U formula C41H70N2O17P2 global charge -2 mol weight 924.956 InChIKey QBRZRKKUHJLMCY-HRUJLXCPSA-L InChI InChI=1S/C41H72N2O17P2/c1-25(2)13-9-14-26(3)15-10-16-27(4)17-11-18-28(5)19-12-20-29(6)21-22-55-61(51,52)60-62(53,54)59-41-35(43-31(8)47)38(50)39(33(24-45)57-41)58-40-34(42-30(7)46)37(49)36(48)32(23-44)56-40/h13,15,17,19,29,32-41,44-45,48-50H,9-12,14,16,18,20-24H2,1-8H3,(H,42,46)(H,43,47)(H,51,52)(H,53,54)/p-2/b26-15+,27-17+,28-19-/t29?,32-,33-,34-,35-,36-,37-,38-,39-,40+,41-/m1/s1 SMILES CC(=O)N[C@H]1[C@@H](OP(=O)([O-])OP(=O)([O-])OCCC(C)CC/C=C(/C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@@H]1O MNX internals InChI (mnx) InChI=1/C41H72N2O17P2/c1-25(2)13-9-14-26(3)15-10-16-27(4)17-11-18-28(5)19-12-20-29(6)21-22-55-61(51,52)60-62(53,54)59-41-35(43-31(8)47)38(50)39(33(24-45)57-41)58-40-34(42-30(7)46)37(49)36(48)32(23-44)56-40/h13,15,17,19,29,32-41,44-45,48-50H,9-12,14,16,18,20-24H2,1-8H3,(H,42,46)(H,43,47)(H,51,52)(H,53,54)/b26-15+,27-17+,28-19-/t29?,32-,33-,34-,35-,36-,37-,38-,39-,40+,41-/m1/s1 SMILES (mnx) [CH3:1][C:25]([CH3:2])=[CH:13][CH2:9][CH2:14]/[C:26]([CH3:3])=[CH:15]/[CH2:10][CH2:16]/[C:27]([CH3:4])=[CH:17]/[CH2:11][CH2:18]/[C:28]([CH3:5])=[CH:19]\[CH2:12][CH2:20][CH:29]([CH3:6])[CH2:21][CH2:22][O:55][P:61]([OH:51])(=[O:52])[O:60][P:62]([OH:53])(=[O:54])[O:59][C@@H:41]1[C@H:35]([N:43]=[C:31]([CH3:8])[OH:47])[C@@H:38]([OH:50])[C@H:39]([O:58][C@H:40]2[C@H:34]([N:42]=[C:30]([CH3:7])[OH:46])[C@@H:37]([OH:49])[C@H:36]([OH:48])[C@@H:32]([CH2:23][OH:44])[O:56]2)[C@@H:33]([CH2:24][OH:45])[O:57]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 3 in models (compartimentalized) 2