In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP02019AAM
Common NamePE(10:0/17:1(9Z))
Systematic Name1-decanoyl-2-(9Z-heptadecenoyl)-sn-glycero-3-phosphoethanolamine
SynonymsPE(27:1); PE(10:0_17:1)
Exact Mass
619.4213 (neutral)    Calculate m/z:
FormulaC32H62NO8P
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphoethanolamines [GP02]
Sub ClassDiacylglycerophosphoethanolamines [GP0201]
PubChem Compound ID (CID)-
InChIKeyMBWNQWVMGMSNCS-GVBJFWFFSA-N
InChIInChI=1S/C32H62NO8P/c1-3-5-7-9-11-12-13-14-15-16-17-19-21-23-25-32(35)41-30(29-4
0-42(36,37)39-27-26-33)28-38-31(34)24-22-20-18-10-8-6-4-2/h13-14,30H,3-12,15-29,
33H2,1-2H3,(H,36,37)/b14-13-/t30-/m1/s1
SMILES[C@](COP(=O)(O)OCCN)([H])(OC(CCCCCCC/C=C\CCCCCCC)=O)COC(CCCCCCCCC)=O
MS Spectra-      Predict MS/MS spectrum (Neg. mode)
StatusActive (generated by computational methods)