In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP04019AAM
Common NamePG(10:0/17:1(9Z))
Systematic Name1-decanoyl-2-(9Z-heptadecenoyl)-sn-glycero-3-phospho-(1'-sn-glycerol)
SynonymsPG(27:1); PG(10:0_17:1)
Exact Mass
650.4159 (neutral)    Calculate m/z:
FormulaC33H63O10P
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphoglycerols [GP04]
Sub ClassDiacylglycerophosphoglycerols [GP0401]
PubChem Compound ID (CID)-
InChIKeyBUXXMRSHSPHUPP-FSYULMFSSA-N
InChIInChI=1S/C33H63O10P/c1-3-5-7-9-11-12-13-14-15-16-17-19-21-23-25-33(37)43-31(29-4
2-44(38,39)41-27-30(35)26-34)28-40-32(36)24-22-20-18-10-8-6-4-2/h13-14,30-31,34-
35H,3-12,15-29H2,1-2H3,(H,38,39)/b14-13-/t30-,31+/m0/s1
SMILES[H][C@](O)(CO)COP(OC[C@]([H])(OC(CCCCCCC/C=C\CCCCCCC)=O)COC(CCCCCCCCC)=O)(=O)O
MS Spectra-      Predict MS/MS spectrum (Neg. mode)
StatusActive (generated by computational methods)