In-Silico Structure Database (LMISSD)
Common Name
PC(P-20:1(9Z)/25:0)
Systematic Name
1-(1Z,9Z-eicosadienyl)-2-pentacosanoyl-sn-glycero-3-phosphocholine
LM ID
LMGP01039AUI
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
897.755042
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphocholines [GP01]
1-(1Z-alkenyl),2-acylglycerophosphocholines [GP0103]
String Representations
InChiKey (Click to copy)
YVYXTYOTOOWSSZ-BFQYJEMMSA-N
InChi (Click to copy)
InChI=1S/C53H104NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-27-28-29-30-32-34-36-38-40-42-44-46-53(55)61-52(51-60-62(56,57)59-49-47-54(3,4)5)50-58-48-45-43-41-39-37-35-33-31-25-23-21-19-17-15-13-11-9-7-2/h25,31,45,48,52H,6-24,26-30,32-44,46-47,49-51H2,1-5H3/b31-25-,48-45-/t52-/m1/s1
SMILES (Click to copy)
[C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCC)=O)CO/C=C\CCCCCC/C=C\CCCCCCCCCC