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1-(9Z-octadecenoyl)-2-(11-methyldodecanoyl)-sn-glycero-3-phosphocholine

PropertiesImage
MNX_IDMNXM332214 Image of MNXM332214
referenceslm:000012268
formulaC39H76NO8P
global charge0
mol weight718.01
InChIKeyICFSWSCEXHKCFO-MWQHCWNRSA-N
InChIInChI=1S/C39H76NO8P/c1-7-8-9-10-11-12-13-14-15-16-17-18-21-24-27-30-38(41)45-34-37(35-47-49(43,44)46-33-32-40(4,5)6)48-39(42)31-28-25-22-19-20-23-26-29-36(2)3/h14-15,36-37H,7-13,16-35H2,1-6H3/b15-14-/t37-/m1/s1
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCC(C)C
MNX internals
InChI (mnx)InChI=1/C39H76NO8P/c1-7-8-9-10-11-12-13-14-15-16-17-18-21-24-27-30-38(41)45-34-37(35-47-49(43,44)46-33-32-40(4,5)6)48-39(42)31-28-25-22-19-20-23-26-29-36(2)3/h14-15,36-37H,7-13,16-35H2,1-6H3/b15-14-/t37-/m1/s1 Image of MNXM332214
SMILES (mnx)[CH3:1][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13]/[CH:14]=[CH:15]\[CH2:16][CH2:17][CH2:18][CH2:21][CH2:24][CH2:27][CH2:30][C:38](=[O:41])[O:45][CH2:34][C@H:37]([CH2:35][O:47][P:49](=[O:43])([O-:44])[O:46][CH2:33][CH2:32][N+:40]([CH3:4])([CH3:5])[CH3:6])[O:48][C:39]([CH2:31][CH2:28][CH2:25][CH2:22][CH2:19][CH2:20][CH2:23][CH2:26][CH2:29][CH:36]([CH3:2])[CH3:3])=[O:42]
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:000012268
slm:000012268
ICFSWSCEXHKCFO-MWQHCWNRSA-N
1-(9Z-octadecenoyl)-2-(11-methyldodecanoyl)-sn-glycero-3-phosphocholine
PC(18:1(9Z)/13:0)
Phosphatidylcholine (18:1(9Z)/13:0)