In-Silico Structure Database (LMISSD)
Common Name
PG(P-22:1(9Z)/26:2(5Z,9E))
Systematic Name
1-(1Z,9Z-docosenyl)-2-(5Z,9E-hexacosadienoyl)-sn-glycero-3-phospho-(1'-sn-glycerol)
LM ID
LMGP04039A1J
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
924.718323
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoglycerols [GP04]
1-(1Z-alkenyl),2-acylglycerophosphoglycerols [GP0403]
String Representations
InChiKey (Click to copy)
PMYFHSPRCQCITO-RNVVVNNFSA-N
InChi (Click to copy)
InChI=1S/C54H101O9P/c1-3-5-7-9-11-13-15-17-19-21-23-25-26-27-28-30-32-34-36-38-40-42-44-46-54(57)63-53(51-62-64(58,59)61-49-52(56)48-55)50-60-47-45-43-41-39-37-35-33-31-29-24-22-20-18-16-14-12-10-8-6-4-2/h29-32,38,40,45,47,52-53,55-56H,3-28,33-37,39,41-44,46,48-51H2,1-2H3,(H,58,59)/b31-29-,32-30+,40-38-,47-45-/t52-,53+/m0/s1
SMILES (Click to copy)
[C@]([H])(OC(CCC/C=C\CC/C=C/CCCCCCCCCCCCCCCC)=O)(COP(=O)(O)OC[C@@]([H])(O)CO)CO/C=C\CCCCCC/C=C\CCCCCCCCCCCC