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

PropertiesImage
MNX_IDMNXM355726 Image of MNXM355726
referenceslm:000012960
formulaC56H112NO8P
global charge0
mol weight958.485
InChIKeyMGCGHGYTHRRAPT-AXAMJWTMSA-N
InChIInChI=1S/C56H112NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-28-29-30-31-33-35-37-39-41-43-45-47-49-56(59)65-54(53-64-66(60,61)63-51-50-57(3,4)5)52-62-55(58)48-46-44-42-40-38-36-34-32-23-21-19-17-15-13-11-9-7-2/h54H,6-53H2,1-5H3/t54-/m1/s1
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C
MNX internals
InChI (mnx)InChI=1/C56H112NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-28-29-30-31-33-35-37-39-41-43-45-47-49-56(59)65-54(53-64-66(60,61)63-51-50-57(3,4)5)52-62-55(58)48-46-44-42-40-38-36-34-32-23-21-19-17-15-13-11-9-7-2/h54H,6-53H2,1-5H3/t54-/m1/s1 Image of MNXM355726
SMILES (mnx)[CH3:1][CH2:6][CH2:8][CH2:10][CH2:12][CH2:14][CH2:16][CH2:18][CH2:20][CH2:22][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:33][CH2:35][CH2:37][CH2:39][CH2:41][CH2:43][CH2:45][CH2:47][CH2:49][C:56](=[O:59])[O:65][C@H:54]([CH2:52][O:62][C:55]([CH2:48][CH2:46][CH2:44][CH2:42][CH2:40][CH2:38][CH2:36][CH2:34][CH2:32][CH2:23][CH2:21][CH2:19][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH3:2])=[O:58])[CH2:53][O:64][P:66](=[O:60])([O-:61])[O:63][CH2:51][CH2:50][N+:57]([CH3:3])([CH3:4])[CH3:5]
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:000012960
slm:000012960
MGCGHGYTHRRAPT-AXAMJWTMSA-N
1-eicosanoyl-2-octacosanoyl-sn-glycero-3-phosphocholine
PC(20:0/28:0)
Phosphatidylcholine (20:0/28:0)