In-Silico Structure Database (LMISSD)
Common Name
PE(10:0/17:2(9Z,12Z))
Systematic Name
1-decanoyl-2-(9Z,12Z-heptadecadienoyl)-sn-glycero-3-phosphoethanolamine
LM ID
LMGP02019AAN
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
617.405657
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoethanolamines [GP02]
Diacylglycerophosphoethanolamines [GP0201]
String Representations
InChiKey (Click to copy)
GXFRBWCCRNWWKS-QHAUZTQQSA-N
InChi (Click to copy)
InChI=1S/C32H60NO8P/c1-3-5-7-9-11-12-13-14-15-16-17-19-21-23-25-32(35)41-30(29-40-42(36,37)39-27-26-33)28-38-31(34)24-22-20-18-10-8-6-4-2/h9,11,13-14,30H,3-8,10,12,15-29,33H2,1-2H3,(H,36,37)/b11-9-,14-13-/t30-/m1/s1
SMILES (Click to copy)
[C@](COP(=O)(O)OCCN)([H])(OC(CCCCCCC/C=C\C/C=C\CCCC)=O)COC(CCCCCCCCC)=O