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1,2-dioctadecanoyl-sn-glycero-3-cytidine 5'-diphosphate

PropertiesImage
MNX_IDMNXM1369590 Image of MNXM1369590
referencechebi:104121
formulaC48H89N3O15P2
global charge0
mol weight1010.194
InChIKeyPDCWLWQTNQCGRI-IGIWICMZSA-N
InChIInChI=1S/C48H89N3O15P2/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/h35-36,40-41,45-47,54-55H,3-34,37-39H2,1-2H3,(H,57,58)(H,59,60)(H2,49,50,56)/t40-,41-,45-,46-,47-/m1/s1
SMILESCCCCCCCCCCCCCCCCCC(=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)CCCCCCCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C48H89N3O15P2/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/h35-36,40-41,45-47,54-55H,3-34,37-39H2,1-2H3,(H,57,58)(H,59,60)(H2,49,50,56)/t40-,41-,45-,46-,47-/m1/s1 Image of MNXM1369590
SMILES (mnx)[CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:19][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][CH2:20][CH2:18][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)7
in models (compartimentalized) 4
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:104121
chebi:104121
PDCWLWQTNQCGRI-IGIWICMZSA-N 		1,2-dioctadecanoyl-sn-glycero-3-cytidine 5'-diphosphate
1,2-distearoyl-sn-glycero-3-cytidine 5'-diphosphate
5'-O-[({[(2R)-2,3-bis(octadecanoyloxy)propoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]cytidine
CDP-1,2-dioctadecanoyl-sn-glycerol
CDP-1,2-dioctadecanoylglycerol
CDP-1,2-distearoyl-sn-glycerol
CDP-1,2-distearoylglycerol
CDP-DG(18:0/18:0)
CDP-DG(36:0)
CDP-Diacylglycerol(18:0/18:0)
CDP-Diacylglycerol(36:0)

SLM:000741926
slm:000741926
PDCWLWQTNQCGRI-IGIWICMZSA-L 		CDP-1,2-dioctadecanoyl-sn-glycerol
1,2-dioctadecanoyl-sn-glycero-3-cytidine-5'-diphosphate
CDP-DAG (18:0/18:0)
CDP-DG(22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))
[({[(2R,3R,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy][(2R)-2,3-bis(octadecanoyloxy)propoxy]phosphinic acid

metacyc.compound:CPD-12814
metacycM:CPD-12814
PDCWLWQTNQCGRI-IGIWICMZSA-L 		CDP-1,2-dioctadecanoylglycerol

seed.compound:cpd15421
seedM:cpd15421
PDCWLWQTNQCGRI-IGIWICMZSA-L 		CDP-1,2-dioctadecanoylglycerol
cdpdodecg

lipidmaps:LMGP13010013
lipidmapsM:LMGP13010013
PDCWLWQTNQCGRI-IGIWICMZSA-N 		CDP-DG(18:0/18:0)
CDP-DG 36:0
CDP-DG(18:0/18:0)
CDP-DG(36:0)
[({[(2R,3R,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy][(2R)-2,3-bis(octadecanoyloxy)propoxy]phosphinic acid

seedM:M_cpd15421 		secondary/obsolete/fantasy identifier