In-Silico Structure Database (LMISSD)

Common Name
PE(10:0/4:1(3E))
Systematic Name
1-decanoyl-2-3E-butenoyl-sn-glycero-3-phosphoethanolamine
LM ID
LMGP20029ABO
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
437.217857
Formula
C19H36NO8P
Predict MS/MS spectrum (Neg. Mode)
Download as...
MDLMOL SDF CSV TSV PNG
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

Category
Main Class
Sub Class
Glycerophospholipids [GP]
Oxidized glycerophospholipids [GP20]
Oxidized glycerophosphoethanolamines [GP2002]

String Representations

InChiKey (Click to copy)
NFVMANXILRMWSM-QGZVFWFLSA-N
InChi (Click to copy)
InChI=1S/C19H36NO8P/c1-3-5-6-7-8-9-10-12-18(21)25-15-17(28-19(22)11-4-2)16-27-29(23,24)26-14-13-20/h4,17H,2-3,5-16,20H2,1H3,(H,23,24)/t17-/m1/s1
SMILES (Click to copy)
[C@](COP(=O)(O)OCCN)([H])(OC(CC=C)=O)COC(CCCCCCCCC)=O

References

Other Databases