In-Silico Structure Database (LMISSD)
Common Name
PC(O-22:1(9Z)/18:1(9Z))
Systematic Name
1-(9Z-docosenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine
LM ID
LMGP01029A9I
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
827.676792
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphocholines [GP01]
1-alkyl,2-acylglycerophosphocholines [GP0102]
String Representations
InChiKey (Click to copy)
AOZCZKFDUHOTQO-VUUMWCRASA-N
InChi (Click to copy)
InChI=1S/C48H94NO7P/c1-6-8-10-12-14-16-18-20-22-23-24-25-26-28-30-32-34-36-38-40-43-53-45-47(46-55-57(51,52)54-44-42-49(3,4)5)56-48(50)41-39-37-35-33-31-29-27-21-19-17-15-13-11-9-7-2/h21,25-27,47H,6-20,22-24,28-46H2,1-5H3/b26-25-,27-21-/t47-/m1/s1
SMILES (Click to copy)
[C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(OC(CCCCCCC/C=C\CCCCCCCC)=O)COCCCCCCCC/C=C\CCCCCCCCCCCC