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1-hexadecanoyl-2-(5Z,8Z,11Z-eicosatrienoyl)-sn-glycero-3-phosphocholine

PropertiesImage
MNX_IDMNXM69329 Image of MNXM69329
referencechebi:86119
formulaC44H82NO8P
global charge0
mol weight784.113
InChIKeyXMZFUVYOYPLVOA-VLHUWQDUSA-N
InChIInChI=1S/C44H82NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-35-37-44(47)53-42(41-52-54(48,49)51-39-38-45(3,4)5)40-50-43(46)36-34-32-30-28-26-24-19-17-15-13-11-9-7-2/h20-21,23,25,29,31,42H,6-19,22,24,26-28,30,32-41H2,1-5H3/b21-20-,25-23-,31-29-/t42-/m1/s1
SMILESCCCCCCCC/C=C\C/C=C\C/C=C\CCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C
MNX internals
InChI (mnx)InChI=1/C44H82NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-35-37-44(47)53-42(41-52-54(48,49)51-39-38-45(3,4)5)40-50-43(46)36-34-32-30-28-26-24-19-17-15-13-11-9-7-2/h20-21,23,25,29,31,42H,6-19,22,24,26-28,30,32-41H2,1-5H3/b21-20-,25-23-,31-29-/t42-/m1/s1 Image of MNXM69329
SMILES (mnx)[CH3:1][CH2:6][CH2:8][CH2:10][CH2:12][CH2:14][CH2:16][CH2:18]/[CH:20]=[CH:21]\[CH2:22]/[CH:23]=[CH:25]\[CH2:27]/[CH:29]=[CH:31]\[CH2:33][CH2:35][CH2:37][C:44](=[O:47])[O:53][C@H:42]([CH2:40][O:50][C:43]([CH2:36][CH2:34][CH2:32][CH2:30][CH2:28][CH2:26][CH2:24][CH2:19][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH3:2])=[O:46])[CH2:41][O:52][P:54](=[O:48])([O-:49])[O:51][CH2:39][CH2:38][N+:45]([CH3:3])([CH3:4])[CH3:5]
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:86119
chebi:86119
XMZFUVYOYPLVOA-VLHUWQDUSA-N 		1-hexadecanoyl-2-(5Z,8Z,11Z-eicosatrienoyl)-sn-glycero-3-phosphocholine
(2R)-3-(hexadecanoyloxy)-2-{[(5Z,8Z,11Z)-icosa-5,8,11-trienoyl]oxy}propyl 2-(trimethylazaniumyl)ethyl phosphate
1-Palmitoyl-2-meadoyl-sn-glycero-3-phosphocholine
1-hexadecanoyl-2-[(5Z,8Z,11Z)-eicosatrienoyl]-sn-glycero-3-phosphocholine
1-hexadecanoyl-2-[(5Z,8Z,11Z)-icosatrienoyl]-sn-glycero-3-phosphocholine
1-palmitoyl-2-meadoyl-GPC
1-palmitoyl-2-meadoyl-GPC (16:0/20:3n9)
GPC(16:0/20:3n9)
GPCho(16:0/20:3)
GPCho(16:0/20:3n9)
GPCho(16:0/20:3w9)
PC(16:0/20:3(5Z,8Z,11Z))
PC(16:0/20:3)
PC(16:0/20:3n9)
PC(16:0/20:3w9)
PC(36:3)
Phosphatidylcholine(16:0/20:3)
Phosphatidylcholine(16:0/20:3n9)
Phosphatidylcholine(16:0/20:3w9)
Phosphatidylcholine(36:3)

SLM:000597864
slm:000597864
XMZFUVYOYPLVOA-VLHUWQDUSA-N 		1-hexadecanoyl-2-(5Z,8Z,11Z-eicosatrienoyl)-sn-glycero-3-phosphocholine
hmdb:HMDB0007980
XMZFUVYOYPLVOA-VLHUWQDUSA-N 		PC(16:0/20:3(5Z,8Z,11Z))
(2-{[(2R)-3-(hexadecanoyloxy)-2-[(5Z,8Z,11Z)-icosa-5,8,11-trienoyloxy]propyl phosphonato]oxy}ethyl)trimethylazanium
1-Hexadecanoyl-2-(5Z,8Z,11Z-eicosatrienoyl)-sn-glycero-3-phosphocholine
1-Hexadecanoyl-2-[(5Z,8Z,11Z)-eicosatrienoyl]-sn-glycero-3-phosphocholine
1-Palmitoyl-2-meadoyl-GPC
1-Palmitoyl-2-meadoyl-GPC (16:0/20:3n9)
1-Palmitoyl-2-meadoyl-sn-glycero-3-phosphocholine
GPC(16:0/20:3n9)
GPCho(16:0/20:3)
GPCho(16:0/20:3W9)
GPCho(16:0/20:3n9)
GPCho(36:3)
Lecithin
PC(16:0/20:3)
PC(16:0/20:3W9)
PC(16:0/20:3n9)
PC(36:3)
Phosphatidylcholine(16:0/20:3)
Phosphatidylcholine(16:0/20:3W9)
Phosphatidylcholine(16:0/20:3n9)
Phosphatidylcholine(36:3)
lecithin

lipidmaps:LMGP01010622
lipidmapsM:LMGP01010622
XMZFUVYOYPLVOA-VLHUWQDUSA-N 		PC(16:0/20:3(5Z,8Z,11Z))
1-hexadecanoyl-2-(5Z,8Z,11Z-eicosatrienoyl)-sn-glycero-3-phosphocholine
PC 36:3
PC(16:0/20:3)
PC(16:0_20:3)
PC(36:3)

hmdb:HMDB07980 		secondary/obsolete/fantasy identifier