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1-(11Z-eicosenoyl)-2-heneicosanoyl-sn-glycero-3-phosphocholine

PropertiesImage
MNX_IDMNXM70037 Image of MNXM70037
referenceslm:000008536
formulaC49H96NO8P
global charge0
mol weight858.28
InChIKeyZXLWRARTYAPXMM-FYAZAUILSA-N
InChIInChI=1S/C49H96NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-49(52)58-47(46-57-59(53,54)56-44-43-50(3,4)5)45-55-48(51)41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h21,23,47H,6-20,22,24-46H2,1-5H3/b23-21-/t47-/m1/s1
SMILESCCCCCCCC/C=C\CCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C49H96NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-49(52)58-47(46-57-59(53,54)56-44-43-50(3,4)5)45-55-48(51)41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h21,23,47H,6-20,22,24-46H2,1-5H3/b23-21-/t47-/m1/s1 Image of MNXM70037
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][CH2:38][CH2:40][CH2:42][C:49](=[O:52])[O:58][C@H:47]([CH2:45][O:55][C:48]([CH2:41][CH2:39][CH2:37][CH2:35][CH2:33][CH2:31][CH2:29][CH2:27][CH2:25]/[CH:23]=[CH:21]\[CH2:19][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH3:2])=[O:51])[CH2:46][O:57][P:59](=[O:53])([O-:54])[O:56][CH2:44][CH2:43][N+:50]([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:000008536
slm:000008536
ZXLWRARTYAPXMM-FYAZAUILSA-N
1-(11Z-eicosenoyl)-2-heneicosanoyl-sn-glycero-3-phosphocholine
PC(20:1(11Z)/21:0)
Phosphatidylcholine (20:1(11Z)/21:0)

lipidmaps:LMGP01011829
lipidmapsM:LMGP01011829
ZXLWRARTYAPXMM-FYAZAUILSA-N
PC(20:1(11Z)/21:0)
1-(11Z-eicosenoyl)-2-heneicosanoyl-glycero-3-phosphocholine
PC 41:1
PC(20:1_21:0)
PC(41:1)