In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP02019AAI
Common NamePE(10:0/16:0)
Systematic Name1-decanoyl-2-hexadecanoyl-sn-glycero-3-phosphoethanolamine
SynonymsPE(26:0); PE(10:0_16:0)
Exact Mass
607.4213 (neutral)    Calculate m/z:
FormulaC31H62NO8P
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphoethanolamines [GP02]
Sub ClassDiacylglycerophosphoethanolamines [GP0201]
PubChem Compound ID (CID)-
InChIKeyCJKCZRZXQYNVCM-GDLZYMKVSA-N
InChIInChI=1S/C31H62NO8P/c1-3-5-7-9-11-12-13-14-15-16-18-20-22-24-31(34)40-29(28-39-4
1(35,36)38-26-25-32)27-37-30(33)23-21-19-17-10-8-6-4-2/h29H,3-28,32H2,1-2H3,(H,3
5,36)/t29-/m1/s1
SMILES[C@](COP(=O)(O)OCCN)([H])(OC(CCCCCCCCCCCCCCC)=O)COC(CCCCCCCCC)=O
MS Spectra-      Predict MS/MS spectrum (Neg. mode)
StatusActive (generated by computational methods)