In-Silico Structure Database (LMISSD)
Common Name
PC(O-16:1(11Z)/20:1(13E))
Systematic Name
1-(11Z-hexadecenyl)-2-(13E-eicosenoyl)-sn-glycero-3-phosphocholine
LM ID
LMGP01029AH9
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
771.614192
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphocholines [GP01]
1-alkyl,2-acylglycerophosphocholines [GP0102]
String Representations
InChiKey (Click to copy)
CHARKQMTATUWGN-BTKMRMJESA-N
InChi (Click to copy)
InChI=1S/C44H86NO7P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-44(46)52-43(42-51-53(47,48)50-40-38-45(3,4)5)41-49-39-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h13,15-16,18,43H,6-12,14,17,19-42H2,1-5H3/b15-13-,18-16+/t43-/m1/s1
SMILES (Click to copy)
[C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(OC(CCCCCCCCCCC/C=C/CCCCCC)=O)COCCCCCCCCCC/C=C\CCCC