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1-(11E-octadecenoyl)-2-octadecanoyl-sn-glycero-3-phosphocholine

PropertiesImage
MNX_IDMNXM192766 Image of MNXM192766
referenceslm:000008069
formulaC44H86NO8P
global charge0
mol weight788.145
InChIKeyVSQJLPDEJFLZDH-RACSZTCFSA-N
InChIInChI=1S/C44H86NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h16,18,42H,6-15,17,19-41H2,1-5H3/b18-16+/t42-/m1/s1
SMILESCCCCCC/C=C/CCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C44H86NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h16,18,42H,6-15,17,19-41H2,1-5H3/b18-16+/t42-/m1/s1 Image of MNXM192766
SMILES (mnx)[CH3:1][CH2:6][CH2:8][CH2:10][CH2:12][CH2:14]/[CH:16]=[CH:18]/[CH2:20][CH2:22][CH2:24][CH2:26][CH2:28][CH2:30][CH2:32][CH2:34][CH2:36][C:43](=[O:46])[O:50][CH2:40][C@H:42]([CH2:41][O:52][P:54](=[O:48])([O-:49])[O:51][CH2:39][CH2:38][N+:45]([CH3:3])([CH3:4])[CH3:5])[O:53][C:44]([CH2:37][CH2:35][CH2:33][CH2:31][CH2:29][CH2:27][CH2:25][CH2:23][CH2:21][CH2:19][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH3:2])=[O:47]
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:000008069
slm:000008069
VSQJLPDEJFLZDH-RACSZTCFSA-N
1-(11E-octadecenoyl)-2-octadecanoyl-sn-glycero-3-phosphocholine
PC(18:1(11E)/18:0)
Phosphatidylcholine (18:1(11E)/18:0)