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1-eicosanoyl-2-heptadecanoyl-sn-glycero-3-phosphocholine

PropertiesImage
MNX_IDMNXM69965 Image of MNXM69965
referenceslm:000012956
formulaC45H90NO8P
global charge0
mol weight804.188
InChIKeyNQDMCNOOWGQYBO-VZUYHUTRSA-N
InChIInChI=1S/C45H90NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-26-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46(3,4)5)54-45(48)38-36-34-32-30-28-25-21-19-17-15-13-11-9-7-2/h43H,6-42H2,1-5H3/t43-/m1/s1
SMILESCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C45H90NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-26-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46(3,4)5)54-45(48)38-36-34-32-30-28-25-21-19-17-15-13-11-9-7-2/h43H,6-42H2,1-5H3/t43-/m1/s1 Image of MNXM69965
SMILES (mnx)[CH3:1][CH2:6][CH2:8][CH2:10][CH2:12][CH2:14][CH2:16][CH2:18][CH2:20][CH2:22][CH2:23][CH2:24][CH2:26][CH2:27][CH2:29][CH2:31][CH2:33][CH2:35][CH2:37][C:44](=[O:47])[O:51][CH2:41][C@H:43]([CH2:42][O:53][P:55](=[O:49])([O-:50])[O:52][CH2:40][CH2:39][N+:46]([CH3:3])([CH3:4])[CH3:5])[O:54][C:45]([CH2:38][CH2:36][CH2:34][CH2:32][CH2:30][CH2:28][CH2:25][CH2:21][CH2:19][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH3:2])=[O:48]
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:000012956
slm:000012956
NQDMCNOOWGQYBO-VZUYHUTRSA-N
1-eicosanoyl-2-heptadecanoyl-sn-glycero-3-phosphocholine
PC(20:0/17:0)
Phosphatidylcholine (20:0/17:0)

lipidmaps:LMGP01011791
lipidmapsM:LMGP01011791
NQDMCNOOWGQYBO-VZUYHUTRSA-N
PC(20:0/17:0)
1-eicosanoyl-2-heptadecanoyl-glycero-3-phosphocholine
PC 37:0
PC(17:0_20:0)
PC(37:0)