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CDP-1-stearoyl-2-arachidonoyl-sn-glycerol(2-)

PropertiesImage
MNX_IDMNXM1369805 Image of MNXM1369805
referencechebi:85349
formulaC50H83N3O15P2
global charge-2
mol weight1028.168
InChIKeyMXWMCLVKMTUATQ-UMHKXKCNSA-L
InChIInChI=1S/C50H85N3O15P2/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-46(55)66-42(39-63-45(54)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2)40-64-69(59,60)68-70(61,62)65-41-43-47(56)48(57)49(67-43)53-38-37-44(51)52-50(53)58/h11,13,17,19,22,24,28,30,37-38,42-43,47-49,56-57H,3-10,12,14-16,18,20-21,23,25-27,29,31-36,39-41H2,1-2H3,(H,59,60)(H,61,62)(H2,51,52,58)/p-2/b13-11-,19-17-,24-22-,30-28-/t42-,43-,47-,48-,49-/m1/s1
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCC)COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@H](O)[C@@H]1O
MNX internals
InChI (mnx)InChI=1/C50H85N3O15P2/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-46(55)66-42(39-63-45(54)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2)40-64-69(59,60)68-70(61,62)65-41-43-47(56)48(57)49(67-43)53-38-37-44(51)52-50(53)58/h11,13,17,19,22,24,28,30,37-38,42-43,47-49,56-57H,3-10,12,14-16,18,20-21,23,25-27,29,31-36,39-41H2,1-2H3,(H,59,60)(H,61,62)(H2,51,52,58)/b13-11-,19-17-,24-22-,30-28-/t42-,43-,47-,48-,49-/m1/s1 Image of MNXM1369805
SMILES (mnx)[CH3:1][CH2:3][CH2:5][CH2:7][CH2:9]/[CH:11]=[CH:13]\[CH2:15]/[CH:17]=[CH:19]\[CH2:20]/[CH:22]=[CH:24]\[CH2:26]/[CH:28]=[CH:30]\[CH2:32][CH2:34][CH2:36][C:46](=[O:55])[O:66][C@H:42]([CH2:39][O:63][C:45]([CH2:35][CH2:33][CH2:31][CH2:29][CH2:27][CH2:25][CH2:23][CH2:21][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:54])[CH2:40][O:64][P:69](=[O:59])([OH:60])[O:68][P:70](=[O:61])([OH:62])[O:65][CH2:41][C@@H:43]1[C@@H:47]([OH:56])[C@@H:48]([OH:57])[C@H:49]([n:53]2[cH:38][cH:37][c:44]([NH2:51])[n:52][c:50]2=[O:58])[O:67]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:85349
chebi:85349
MXWMCLVKMTUATQ-UMHKXKCNSA-L 		CDP-1-stearoyl-2-arachidonoyl-sn-glycerol(2-)
1-octadecanoyl-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-cytidine-5'-diphosphate
1-octadecanoyl-2-(5Z,8Z,11Z,14Z-icosatetraenoyl)-sn-glycero-3-cytidine-5'-diphosphate(2-)
5'-O-[({[(2R)-2-{[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]oxy}-3-(octadecanoyloxy)propoxy]phosphinato}oxy)phosphinato]cytidine
CDP-1-octadecanoyl-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycerol(2-)
CDP-1-octadecanoyl-2-(5Z,8Z,11Z,14Z-icosatetraenoyl)-sn-glycerol(2-)

SLM:000390200
slm:000390200
MXWMCLVKMTUATQ-UMHKXKCNSA-L 		CDP-1-octadecanoyl-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycerol
1-octadecanoyl-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-cytidine-5'-diphosphate
CDP-DAG (18:0/20:4(5Z,8Z,11Z,14Z))
CDP-DG(22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
[({[(2R,3R,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy][(2R)-2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]-3-(octadecanoyloxy)propoxy]phosphinic acid

CHEBI:85829
chebi:85829
MXWMCLVKMTUATQ-UMHKXKCNSA-N 		CDP-1-stearoyl-2-arachidonoyl-sn-glycerol
1-Octadecanoyl-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-CDP
1-Stearoyl-2-arachidonoyl-sn-glycero-3-cytidine-5'-diphosphate
1-octadecanoyl-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-cytidine-5'-diphosphate
1-octadecanoyl-2-(5Z,8Z,11Z,14Z-icosatetraenoyl)-sn-glycero-3-cytidine-5'-diphosphate
5'-O-[hydroxy({hydroxy[(2R)-2-{[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]oxy}-3-(octadecanoyloxy)propoxy]phosphoryl}oxy)phosphoryl]cytidine
CDP-1-octadecanoyl-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycerol
CDP-1-octadecanoyl-2-(5Z,8Z,11Z,14Z-icosatetraenoyl)-sn-glycerol
CDP-DG(18:0/20:4)
CDP-DG(18:0/20:4n6)
CDP-DG(18:0/20:4w6)
CDP-DG(38:4)
CDP-Diacylglycerol(18:0/20:4)
CDP-Diacylglycerol(18:0/20:4n6)
CDP-Diacylglycerol(18:0/20:4w6)
CDP-Diacylglycerol(38:4)

lipidmaps:LMGP13010017
lipidmapsM:LMGP13010017
MXWMCLVKMTUATQ-UMHKXKCNSA-N 		CDP-DG(18:0/20:4(5Z,8Z,11Z,14Z)
CDP-DG 38:4
CDP-DG(18:0_20:4)
CDP-DG(38:4)
[({[(2R,3R,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy][(2R)-2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]-3-(octadecanoyloxy)propoxy]phosphinic acid