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1-(11E-octadecenoyl)-2-(6Z-hexadecenoyl)-sn-glycero-3-phosphocholine

PropertiesImage
MNX_IDMNXM191145 Image of MNXM191145
referenceslm:000008039
formulaC42H80NO8P
global charge0
mol weight758.075
InChIKeyHANMOEYNIMJNTQ-AGKYZDRWSA-N
InChIInChI=1S/C42H80NO8P/c1-6-8-10-12-14-16-18-20-21-23-24-26-28-30-32-34-41(44)48-38-40(39-50-52(46,47)49-37-36-43(3,4)5)51-42(45)35-33-31-29-27-25-22-19-17-15-13-11-9-7-2/h16,18,25,27,40H,6-15,17,19-24,26,28-39H2,1-5H3/b18-16+,27-25-/t40-/m1/s1
SMILESCCCCCC/C=C/CCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCC/C=C\CCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C42H80NO8P/c1-6-8-10-12-14-16-18-20-21-23-24-26-28-30-32-34-41(44)48-38-40(39-50-52(46,47)49-37-36-43(3,4)5)51-42(45)35-33-31-29-27-25-22-19-17-15-13-11-9-7-2/h16,18,25,27,40H,6-15,17,19-24,26,28-39H2,1-5H3/b18-16+,27-25-/t40-/m1/s1 Image of MNXM191145
SMILES (mnx)[CH3:1][CH2:6][CH2:8][CH2:10][CH2:12][CH2:14]/[CH:16]=[CH:18]/[CH2:20][CH2:21][CH2:23][CH2:24][CH2:26][CH2:28][CH2:30][CH2:32][CH2:34][C:41](=[O:44])[O:48][CH2:38][C@H:40]([CH2:39][O:50][P:52](=[O:46])([O-:47])[O:49][CH2:37][CH2:36][N+:43]([CH3:3])([CH3:4])[CH3:5])[O:51][C:42]([CH2:35][CH2:33][CH2:31][CH2:29]/[CH:27]=[CH:25]\[CH2:22][CH2:19][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH3:2])=[O:45]
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:000008039
slm:000008039
HANMOEYNIMJNTQ-AGKYZDRWSA-N
1-(11E-octadecenoyl)-2-(6Z-hexadecenoyl)-sn-glycero-3-phosphocholine
PC(18:1(11E)/16:1(6Z))
Phosphatidylcholine (18:1(11E)/16:1(6Z))