In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMSP03029AXQ
Common NamePE-Cer(d15:2(4E,6E)/15:0)
Systematic NameN-(pentadecanoyl)-4E,6E-pentadecasphingadienine-1-phosphoethanolamine
Synonyms-
Exact Mass
602.4424 (neutral)    Calculate m/z:
FormulaC32H63N2O6P
CategorySphingolipids [SP]
Main ClassPhosphosphingolipids [SP03]
Sub ClassCeramide phosphoethanolamines [SP0302]
PubChem Compound ID (CID)-
InChIKeyOFVANLLYBUKQAM-NXSGTHGASA-N
InChIInChI=1S/C32H63N2O6P/c1-3-5-7-9-11-13-15-16-18-20-22-24-26-32(36)34-30(29-40-41(
37,38)39-28-27-33)31(35)25-23-21-19-17-14-12-10-8-6-4-2/h19,21,23,25,30-31,35H,3
-18,20,22,24,26-29,33H2,1-2H3,(H,34,36)(H,37,38)/b21-19+,25-23+/t30-,31+/m0/s1
SMILES[C@](COP(=O)(O)OCCN)([H])(NC(CCCCCCCCCCCCCC)=O)[C@]([H])(O)/C=C/C=C/CCCCCCCC
MS Spectra-     
StatusActive (generated by computational methods)