In-Silico Structure Database (LMISSD)
Common Name
PE(P-18:1(9Z)/30:0)
Systematic Name
1-(1Z,9Z-octadecadienyl)-2-triacontanoyl-sn-glycero-3-phosphoethanolamine
LM ID
LMGP02039ANU
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
897.755042
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoethanolamines [GP02]
1-(1Z-alkenyl),2-acylglycerophosphoethanolamines [GP0203]
String Representations
InChiKey (Click to copy)
GJNNOUPQOATSPJ-UJAINFONSA-N
InChi (Click to copy)
InChI=1S/C53H104NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-30-31-32-34-36-38-40-42-44-46-53(55)61-52(51-60-62(56,57)59-49-47-54)50-58-48-45-43-41-39-37-35-33-20-18-16-14-12-10-8-6-4-2/h18,20,45,48,52H,3-17,19,21-44,46-47,49-51,54H2,1-2H3,(H,56,57)/b20-18-,48-45-/t52-/m1/s1
SMILES (Click to copy)
[C@](COP(=O)(O)OCCN)([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)CO/C=C\CCCCCC/C=C\CCCCCCCC