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1,2-di-(13Z-docosenoyl)-sn-glycero-3-phosphocholine

PropertiesImage
MNX_IDMNXM70438 Image of MNXM70438
referenceslm:000012436
formulaC52H100NO8P
global charge0
mol weight898.345
InChIKeySDEURMLKLAEUAY-JFSPZUDSSA-N
InChIInChI=1S/C52H100NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-51(54)58-48-50(49-60-62(56,57)59-47-46-53(3,4)5)61-52(55)45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h20-23,50H,6-19,24-49H2,1-5H3/b22-20-,23-21-/t50-/m1/s1
SMILESCCCCCCCC/C=C\CCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC/C=C\CCCCCCCC
MNX internals
InChI (mnx)InChI=1/C52H100NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-51(54)58-48-50(49-60-62(56,57)59-47-46-53(3,4)5)61-52(55)45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h20-23,50H,6-19,24-49H2,1-5H3/b22-20-,23-21-/t50-/m1/s1 Image of MNXM70438
SMILES (mnx)[CH3:1][CH2:6][CH2:8][CH2:10][CH2:12][CH2:14][CH2:16][CH2:18]/[CH:20]=[CH:22]\[CH2:24][CH2:26][CH2:28][CH2:30][CH2:32][CH2:34][CH2:36][CH2:38][CH2:40][CH2:42][CH2:44][C:51](=[O:54])[O:58][CH2:48][C@H:50]([CH2:49][O:60][P:62](=[O:56])([O-:57])[O:59][CH2:47][CH2:46][N+:53]([CH3:3])([CH3:4])[CH3:5])[O:61][C:52]([CH2:45][CH2:43][CH2:41][CH2:39][CH2:37][CH2:35][CH2:33][CH2:31][CH2:29][CH2:27][CH2:25]/[CH:23]=[CH:21]\[CH2:19][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH3:2])=[O:55]
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

SLM:000012436
slm:000012436
SDEURMLKLAEUAY-JFSPZUDSSA-N 		1,2-di-(13Z-docosenoyl)-sn-glycero-3-phosphocholine
PC(22:1(13Z)/22:1(13Z))
Phosphatidylcholine (22:1(13Z)/22:1(13Z))
hmdb:HMDB0008578
SDEURMLKLAEUAY-JFSPZUDSSA-N 		PC(22:1(13Z)/22:1(13Z))
(2-{[(2R)-2,3-bis[(13Z)-docos-13-enoyloxy]propyl phosphonato]oxy}ethyl)trimethylazanium
1,2-Di(13Z-docosenoyl)-rac-glycero-3-phosphocholine
1,2-Didocos-13-enoyl phoshatidylcholine
1,2-Dierucoyl-rac-glycero-3-phosphocholine
GPCho(22:1/22:1)
GPCho(44:2)
Lecithin
PC(22:1/22:1)
PC(44:2)
Phosphatidylcholine(22:1/22:1)
Phosphatidylcholine(44:2)
dierucoyllecithin

lipidmaps:LMGP01011110
lipidmapsM:LMGP01011110
SDEURMLKLAEUAY-JFSPZUDSSA-N 		PC(22:1(13Z)/22:1(13Z))
1,2-Dierucoyl-sn-glycerol-3-phosphorylcholine
1,2-di-(13Z-docosenoyl)-sn-glycero-3-phosphocholine
Dierucoyl-L-a-glycerophosphorylcholine
Dierucoyllecithin
L-Dierucoyl lecithin
PC 44:2
PC(22:1/22:1)
PC(44:2)

hmdb:HMDB08578 		secondary/obsolete/fantasy identifier