In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP02019B0P
Common NamePE(18:2(9E,12E)/15:0)
Systematic Name1-(9E,12E-octadecadienoyl)-2-pentadecanoyl-sn-glycero-3-phosphoethanolamine
SynonymsPE(33:2); PE(15:0_18:2)
Exact Mass
701.4996 (neutral)    Calculate m/z:
FormulaC38H72NO8P
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphoethanolamines [GP02]
Sub ClassDiacylglycerophosphoethanolamines [GP0201]
PubChem Compound ID (CID)-
InChIKeyPYJBSHSCZBTUBJ-KYTOASSCSA-N
InChIInChI=1S/C38H72NO8P/c1-3-5-7-9-11-13-15-17-18-19-21-22-24-26-28-30-37(40)44-34-3
6(35-46-48(42,43)45-33-32-39)47-38(41)31-29-27-25-23-20-16-14-12-10-8-6-4-2/h11,
13,17-18,36H,3-10,12,14-16,19-35,39H2,1-2H3,(H,42,43)/b13-11+,18-17+/t36-/m1/s1
SMILES[C@](COP(=O)(O)OCCN)([H])(OC(CCCCCCCCCCCCCC)=O)COC(CCCCCCC/C=C/C/C=C/CCCCC)=O
MS Spectra-      Predict MS/MS spectrum (Neg. mode)
StatusActive (generated by computational methods)