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

PropertiesImage
MNX_IDMNXM69977 Image of MNXM69977
referenceslm:000012959
formulaC47H94NO8P
global charge0
mol weight832.242
InChIKeyUEDLBEQKXBCDAZ-WBVITSLISA-N
InChIInChI=1S/C47H94NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-27-29-31-33-35-37-39-46(49)53-43-45(44-55-57(51,52)54-42-41-48(3,4)5)56-47(50)40-38-36-34-32-30-28-25-23-21-19-17-15-13-11-9-7-2/h45H,6-44H2,1-5H3/t45-/m1/s1
SMILESCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C47H94NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-27-29-31-33-35-37-39-46(49)53-43-45(44-55-57(51,52)54-42-41-48(3,4)5)56-47(50)40-38-36-34-32-30-28-25-23-21-19-17-15-13-11-9-7-2/h45H,6-44H2,1-5H3/t45-/m1/s1 Image of MNXM69977
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][CH2:27][CH2:29][CH2:31][CH2:33][CH2:35][CH2:37][CH2:39][C:46](=[O:49])[O:53][CH2:43][C@H:45]([CH2:44][O:55][P:57](=[O:51])([O-:52])[O:54][CH2:42][CH2:41][N+:48]([CH3:3])([CH3:4])[CH3:5])[O:56][C:47]([CH2:40][CH2:38][CH2:36][CH2:34][CH2:32][CH2:30][CH2:28][CH2:25][CH2:23][CH2:21][CH2:19][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH3:2])=[O:50]
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:000012959
slm:000012959
UEDLBEQKXBCDAZ-WBVITSLISA-N
1-eicosanoyl-2-nonadecanoyl-sn-glycero-3-phosphocholine
PC(20:0/19:0)
Phosphatidylcholine (20:0/19:0)

lipidmaps:LMGP01011797
lipidmapsM:LMGP01011797
UEDLBEQKXBCDAZ-WBVITSLISA-N
PC(20:0/19:0)
1-eicosanoyl-2-nonadecanoyl-glycero-3-phosphocholine
PC 39:0
PC(19:0_20:0)
PC(39:0)