In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP05019AAF
Common NamePGP(10:0/14:1(9Z))
Systematic Name1-decanoyl-2-(9Z-tetradecenoyl)-sn-glycero-3-phospho-(1'-sn-glycerol-3'-
phosphate)
SynonymsPGP(24:1); PGP(10:0_14:1)
Exact Mass
688.3353 (neutral)    Calculate m/z:
FormulaC30H58O13P2
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphoglycerophosphates [GP05]
Sub ClassDiacylglycerophosphoglycerophosphates [GP0501]
PubChem Compound ID (CID)-
InChIKeyZKUSMINRXXFRFI-BZOCOLIVSA-N
InChIInChI=1S/C30H58O13P2/c1-3-5-7-9-11-12-13-14-16-18-20-22-30(33)43-28(25-39-29(32)
21-19-17-15-10-8-6-4-2)26-42-45(37,38)41-24-27(31)23-40-44(34,35)36/h9,11,27-28,
31H,3-8,10,12-26H2,1-2H3,(H,37,38)(H2,34,35,36)/b11-9-/t27-,28+/m0/s1
SMILES[H][C@](O)(COP(O)(O)=O)COP(OC[C@]([H])(OC(CCCCCCC/C=C\CCCC)=O)COC(CCCCCCCCC)=O)(
=O)O
MS Spectra-     
StatusActive (generated by computational methods)