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1-(11-methyldodecanoyl)-2-(11Z,14Z,17Z-eicoastrienoyl)-sn-glycero-3-phosphocholine

PropertiesImage
MNX_IDMNXM185929 Image of MNXM185929
referenceslm:000008083
formulaC41H76NO8P
global charge0
mol weight742.032
InChIKeyQHUBCGCHCUAJCO-HXMISHJWSA-N
InChIInChI=1S/C41H76NO8P/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-27-30-33-41(44)50-39(37-49-51(45,46)48-35-34-42(4,5)6)36-47-40(43)32-29-26-24-21-22-25-28-31-38(2)3/h8-9,11-12,14-15,38-39H,7,10,13,16-37H2,1-6H3/b9-8-,12-11-,15-14-/t39-/m1/s1
SMILESCC/C=C\C/C=C\C/C=C\CCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCC(C)C)COP(=O)([O-])OCC[N+](C)(C)C
MNX internals
InChI (mnx)InChI=1/C41H76NO8P/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-27-30-33-41(44)50-39(37-49-51(45,46)48-35-34-42(4,5)6)36-47-40(43)32-29-26-24-21-22-25-28-31-38(2)3/h8-9,11-12,14-15,38-39H,7,10,13,16-37H2,1-6H3/b9-8-,12-11-,15-14-/t39-/m1/s1 Image of MNXM185929
SMILES (mnx)[CH3:1][CH2:7]/[CH:8]=[CH:9]\[CH2:10]/[CH:11]=[CH:12]\[CH2:13]/[CH:14]=[CH:15]\[CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:23][CH2:27][CH2:30][CH2:33][C:41](=[O:44])[O:50][C@H:39]([CH2:36][O:47][C:40]([CH2:32][CH2:29][CH2:26][CH2:24][CH2:21][CH2:22][CH2:25][CH2:28][CH2:31][CH:38]([CH3:2])[CH3:3])=[O:43])[CH2:37][O:49][P:51](=[O:45])([O-:46])[O:48][CH2:35][CH2:34][N+:42]([CH3:4])([CH3:5])[CH3:6]
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:000008083
slm:000008083
QHUBCGCHCUAJCO-HXMISHJWSA-N
1-(11-methyldodecanoyl)-2-(11Z,14Z,17Z-eicoastrienoyl)-sn-glycero-3-phosphocholine
PC(13:0/20:3(11Z,14Z,17Z))
Phosphatidylcholine (13:0/20:3(11Z,14Z,17Z))