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1-octadecyl-2-octadecanoyl-sn-glycero-3-phosphocholine

PropertiesImage
MNX_IDMNXM70865 Image of MNXM70865
referencechebi:86239
formulaC44H90NO7P
global charge0
mol weight776.178
InChIKeyBKEDGKIMIUGHDV-VZUYHUTRSA-N
InChIInChI=1S/C44H90NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-39-49-41-43(42-51-53(47,48)50-40-38-45(3,4)5)52-44(46)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h43H,6-42H2,1-5H3/t43-/m1/s1
SMILESCCCCCCCCCCCCCCCCCCOC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C44H90NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-39-49-41-43(42-51-53(47,48)50-40-38-45(3,4)5)52-44(46)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h43H,6-42H2,1-5H3/t43-/m1/s1 Image of MNXM70865
SMILES (mnx)[CH3:1][CH2:6][CH2:8][CH2:10][CH2:12][CH2:14][CH2:16][CH2:18][CH2:20][CH2:22][CH2:24][CH2:26][CH2:28][CH2:30][CH2:32][CH2:34][CH2:36][CH2:39][O:49][CH2:41][C@H:43]([CH2:42][O:51][P:53](=[O:47])([O-:48])[O:50][CH2:40][CH2:38][N+:45]([CH3:3])([CH3:4])[CH3:5])[O:52][C:44]([CH2:37][CH2:35][CH2:33][CH2:31][CH2:29][CH2:27][CH2:25][CH2:23][CH2:21][CH2:19][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH3:2])=[O:46]
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:86239
chebi:86239
BKEDGKIMIUGHDV-VZUYHUTRSA-N 		1-octadecyl-2-octadecanoyl-sn-glycero-3-phosphocholine
(2R)-2-(octadecanoyloxy)-3-(octadecyloxy)propyl 2-(trimethylazaniumyl)ethyl phosphate
1-Stearyl-2-stearoyl-sn-glycero-3-phosphocholine
PC(O-18:0/18:0)

SLM:000028334
slm:000028334
BKEDGKIMIUGHDV-VZUYHUTRSA-N 		1-O-octadecyl-2-octadecanoyl-sn-glycero-3-phosphocholine
1-octadecyl-2-octadecanoyl-sn-glycero-3-phosphocholine
PC(O-18:0/18:0)
Phosphatidylcholine (O-18:0/18:0)
hmdb:HMDB0013417
BKEDGKIMIUGHDV-VZUYHUTRSA-N 		PC(O-18:0/18:0)
1-Octadecanyl-2-octadecanoyl-sn-glycero-3-phosphocholine
1-Stearyl-2-stearoyl-sn-glycero-3-phosphocholine
Gpcho(18:0/18:0)
Gpcho(36:0)
Lecithin
PC Ae C36:0
PC(18:0/18:0)
PC(36:0)
PC(O-36:0)
PC(o-18:0/18:0)
Phosphatidylcholine(18:0/18:0)
Phosphatidylcholine(36:0)
trimethyl(2-{[(2R)-2-(octadecanoyloxy)-3-(octadecyloxy)propyl phosphonato]oxy}ethyl)azanium

lipidmaps:LMGP01020091
lipidmapsM:LMGP01020091
BKEDGKIMIUGHDV-VZUYHUTRSA-N 		PC(O-18:0/18:0)
1-octadecyl-2-octadecanoyl-sn-glycero-3-phosphocholine
PC O-36:0
PC(O-18:0/18:0)
PC(O-36:0)

hmdb:HMDB13417 		secondary/obsolete/fantasy identifier