In-Silico Structure Database (LMISSD)
Common Name
PC(P-16:1(9Z)/21:0)
Systematic Name
1-(1Z,9Z-hexadecadienyl)-2-heneicosanoyl-sn-glycero-3-phosphocholine
LM ID
LMGP01039AGB
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
785.629842
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphocholines [GP01]
1-(1Z-alkenyl),2-acylglycerophosphocholines [GP0103]
String Representations
InChiKey (Click to copy)
BKRCWCBWKPKWIR-NAPHWOKNSA-N
InChi (Click to copy)
InChI=1S/C45H88NO7P/c1-6-8-10-12-14-16-18-20-22-23-24-25-26-28-30-32-34-36-38-45(47)53-44(43-52-54(48,49)51-41-39-46(3,4)5)42-50-40-37-35-33-31-29-27-21-19-17-15-13-11-9-7-2/h17,19,37,40,44H,6-16,18,20-36,38-39,41-43H2,1-5H3/b19-17-,40-37-/t44-/m1/s1
SMILES (Click to copy)
[C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(OC(CCCCCCCCCCCCCCCCCCCC)=O)CO/C=C\CCCCCC/C=C\CCCCCC