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1-(13Z,16Z-docosadienoyl)-2-(11Z-eicosenoyl)-sn-glycero-3-phosphocholine

PropertiesImage
MNX_IDMNXM70471 Image of MNXM70471
referenceslm:000009034
formulaC50H94NO8P
global charge0
mol weight868.275
InChIKeyMMZKMFCUJJBWFH-HKLCVFKESA-N
InChIInChI=1S/C50H94NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-28-30-32-34-36-38-40-42-49(52)56-46-48(47-58-60(54,55)57-45-44-51(3,4)5)59-50(53)43-41-39-37-35-33-31-29-26-23-21-19-17-15-13-11-9-7-2/h14,16,20-23,48H,6-13,15,17-19,24-47H2,1-5H3/b16-14-,22-20-,23-21-/t48-/m1/s1
SMILESCCCCC/C=C\C/C=C\CCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCC/C=C\CCCCCCCC
MNX internals
InChI (mnx)InChI=1/C50H94NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-28-30-32-34-36-38-40-42-49(52)56-46-48(47-58-60(54,55)57-45-44-51(3,4)5)59-50(53)43-41-39-37-35-33-31-29-26-23-21-19-17-15-13-11-9-7-2/h14,16,20-23,48H,6-13,15,17-19,24-47H2,1-5H3/b16-14-,22-20-,23-21-/t48-/m1/s1 Image of MNXM70471
SMILES (mnx)[CH3:1][CH2:6][CH2:8][CH2:10][CH2:12]/[CH:14]=[CH:16]\[CH2:18]/[CH:20]=[CH:22]\[CH2:24][CH2:25][CH2:27][CH2:28][CH2:30][CH2:32][CH2:34][CH2:36][CH2:38][CH2:40][CH2:42][C:49](=[O:52])[O:56][CH2:46][C@H:48]([CH2:47][O:58][P:60](=[O:54])([O-:55])[O:57][CH2:45][CH2:44][N+:51]([CH3:3])([CH3:4])[CH3:5])[O:59][C:50]([CH2:43][CH2:41][CH2:39][CH2:37][CH2:35][CH2:33][CH2:31][CH2:29][CH2:26]/[CH:23]=[CH:21]\[CH2:19][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH3:2])=[O:53]
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:000009034
slm:000009034
MMZKMFCUJJBWFH-HKLCVFKESA-N 		1-(13Z,16Z-docosadienoyl)-2-(11Z-eicosenoyl)-sn-glycero-3-phosphocholine
PC(22:2(13Z,16Z)/20:1(11Z))
Phosphatidylcholine (22:2(13Z,16Z)/20:1(11Z))
hmdb:HMDB0008603
MMZKMFCUJJBWFH-HKLCVFKESA-N 		PC(22:2(13Z,16Z)/20:1(11Z))
(2-{[(2R)-3-[(13Z,16Z)-docosa-13,16-dienoyloxy]-2-[(11Z)-icos-11-enoyloxy]propyl phosphonato]oxy}ethyl)trimethylazanium
1-(13Z,16Z-docosadienoyl)-2-(11-eicosenoyl)-sn-glycero-3-phosphocholine
1-docosadienoyl-2-eicosenoyl-sn-glycero-3-phosphocholine
GPCho(22:2/20:1)
GPCho(42:3)
Lecithin
PC(22:2/20:1)
PC(42:3)
Phosphatidylcholine(22:2/20:1)
Phosphatidylcholine(42:3)
lecithin

lipidmaps:LMGP01012055
lipidmapsM:LMGP01012055
MMZKMFCUJJBWFH-HKLCVFKESA-N 		PC(22:2(13Z,16Z)/20:1(11Z))
1-(13Z,16Z-docosadienoyl)-2-(11Z-eicosenoyl)-glycero-3-phosphocholine
PC 42:3
PC(20:1_22:2)
PC(42:3)

hmdb:HMDB08603 		secondary/obsolete/fantasy identifier