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1-octadecyl-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl]-sn-glycero-3-phosphocholine

PropertiesImage
MNX_IDMNXM70889 Image of MNXM70889
referencechebi:86252
formulaC48H86NO7P
global charge0
mol weight820.19
InChIKeyQBZALASVZLFAHF-KYPHJRDXSA-N
InChIInChI=1S/C48H86NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-29-31-33-35-37-39-41-48(50)56-47(46-55-57(51,52)54-44-42-49(3,4)5)45-53-43-40-38-36-34-32-30-28-23-21-19-17-15-13-11-9-7-2/h8,10,14,16,20,22,25-26,29,31,35,37,47H,6-7,9,11-13,15,17-19,21,23-24,27-28,30,32-34,36,38-46H2,1-5H3/b10-8-,16-14-,22-20-,26-25-,31-29-,37-35-/t47-/m1/s1
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@H](COCCCCCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C
MNX internals
InChI (mnx)InChI=1/C48H86NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-29-31-33-35-37-39-41-48(50)56-47(46-55-57(51,52)54-44-42-49(3,4)5)45-53-43-40-38-36-34-32-30-28-23-21-19-17-15-13-11-9-7-2/h8,10,14,16,20,22,25-26,29,31,35,37,47H,6-7,9,11-13,15,17-19,21,23-24,27-28,30,32-34,36,38-46H2,1-5H3/b10-8-,16-14-,22-20-,26-25-,31-29-,37-35-/t47-/m1/s1 Image of MNXM70889
SMILES (mnx)[CH3:1][CH2:6]/[CH:8]=[CH:10]\[CH2:12]/[CH:14]=[CH:16]\[CH2:18]/[CH:20]=[CH:22]\[CH2:24]/[CH:25]=[CH:26]\[CH2:27]/[CH:29]=[CH:31]\[CH2:33]/[CH:35]=[CH:37]\[CH2:39][CH2:41][C:48](=[O:50])[O:56][C@H:47]([CH2:45][O:53][CH2:43][CH2:40][CH2:38][CH2:36][CH2:34][CH2:32][CH2:30][CH2:28][CH2:23][CH2:21][CH2:19][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH3:2])[CH2:46][O:55][P:57](=[O:51])([O-:52])[O:54][CH2:44][CH2:42][N+:49]([CH3:3])([CH3:4])[CH3:5]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:86252
chebi:86252
QBZALASVZLFAHF-KYPHJRDXSA-N 		1-octadecyl-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl]-sn-glycero-3-phosphocholine
(2R)-2-{[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]oxy}-3-(octadecyloxy)propyl 2-(trimethylazaniumyl)ethyl phosphate
PC(O-18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

SLM:000028298
slm:000028298
QBZALASVZLFAHF-KYPHJRDXSA-N 		1-O-octadecyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphocholine
1-octadecyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphocholine
PC(O-18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
Phosphatidylcholine (O-18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
hmdb:HMDB0013422
QBZALASVZLFAHF-KYPHJRDXSA-N 		PC(O-18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
(2-{[(2R)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]-3-(octadecyloxy)propyl phosphonato]oxy}ethyl)trimethylazanium
1-Octadecanyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphocholine
1-Stearyl-2-docosahexaenoyl-sn-glycero-3-phosphocholine
Gpcho(18:0/22:6)
Gpcho(18:0/22:6W3)
Gpcho(18:0/22:6n3)
Gpcho(40:6)
Lecithin
PC Ae C40:6
PC(18:0/22:6)
PC(18:0/22:6W3)
PC(18:0/22:6n3)
PC(40:6)
PC(O-40:6)
PC(o-18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
Phosphatidylcholine(18:0/22:6)
Phosphatidylcholine(18:0/22:6W3)
Phosphatidylcholine(18:0/22:6n3)
Phosphatidylcholine(40:6)

lipidmaps:LMGP01020110
lipidmapsM:LMGP01020110
QBZALASVZLFAHF-KYPHJRDXSA-N 		PC(O-18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
1-octadecyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphocholine
PC O-40:6
PC(O-18:0/22:6)
PC(O-40:6)

hmdb:HMDB13422 		secondary/obsolete/fantasy identifier