1,2-di-(9Z-octadecenoyl)-sn-glycero-3-cytidine-5'-diphosphate

Properties Image MNX_ID MNXM146738 reference chebi:85356 formula C48H83N3O15P2 global charge -2 mol weight 1004.146 InChIKey WVVFFOKRFKIBHD-RFROFZNGSA-L InChI InChI=1S/C48H85N3O15P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-43(52)61-37-40(64-44(53)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)38-62-67(57,58)66-68(59,60)63-39-41-45(54)46(55)47(65-41)51-36-35-42(49)50-48(51)56/h17-20,35-36,40-41,45-47,54-55H,3-16,21-34,37-39H2,1-2H3,(H,57,58)(H,59,60)(H2,49,50,56)/p-2/b19-17-,20-18-/t40-,41-,45-,46-,47-/m1/s1 SMILES CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O)OC(=O)CCCCCCC/C=C\CCCCCCCC MNX internals InChI (mnx) InChI=1/C48H85N3O15P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-43(52)61-37-40(64-44(53)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)38-62-67(57,58)66-68(59,60)63-39-41-45(54)46(55)47(65-41)51-36-35-42(49)50-48(51)56/h17-20,35-36,40-41,45-47,54-55H,3-16,21-34,37-39H2,1-2H3,(H,57,58)(H,59,60)(H2,49,50,56)/b19-17-,20-18-/t40-,41-,45-,46-,47-/m1/s1 SMILES (mnx) [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15]/[CH:17]=[CH:19]\[CH2:21][CH2:23][CH2:25][CH2:27][CH2:29][CH2:31][CH2:33][C:43](=[O:52])[O:61][CH2:37][C@H:40]([CH2:38][O:62][P:67]([OH:57])(=[O:58])[O:66][P:68]([OH:59])(=[O:60])[O:63][CH2:39][C@@H:41]1[C@@H:45]([OH:54])[C@@H:46]([OH:55])[C@H:47]([N:51]2[CH:36]=[CH:35][C:42](=[NH:49])[N:50]=[C:48]2[OH:56])[O:65]1)[O:64][C:44]([CH2:34][CH2:32][CH2:30][CH2:28][CH2:26][CH2:24][CH2:22]/[CH:20]=[CH:18]\[CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:53]

Parent-child relations graph

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