In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP05039DDR
Common NamePGP(P-14:0/17:1(9Z))
Systematic Name1-(1Z-tetradecenyl)-2-(9Z-heptadecenoyl)-sn-glycero-3-phospho-(1'-sn-glycerol-
3'-phosphate)
SynonymsPGP(P-31:1); PGP(P-14:0/17:1)
Exact Mass
770.4499 (neutral)    Calculate m/z:
FormulaC37H72O12P2
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphoglycerophosphates [GP05]
Sub Class1-(1Z-alkenyl),2-acylglycerophosphoglycerophosphates [GP0503]
PubChem Compound ID (CID)-
InChIKeyPHPJNHZVGZUBIO-NUFJCYQISA-N
InChIInChI=1S/C37H72O12P2/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-37(39)49-36(34-
48-51(43,44)47-32-35(38)31-46-50(40,41)42)33-45-30-28-26-24-22-20-16-14-12-10-8-
6-4-2/h15,17,28,30,35-36,38H,3-14,16,18-27,29,31-34H2,1-2H3,(H,43,44)(H2,40,41,4
2)/b17-15-,30-28-/t35-,36+/m0/s1
SMILES[C@]([H])(OC(CCCCCCC/C=C\CCCCCCC)=O)(COP(=O)(O)OC[C@@]([H])(O)COP(O)(O)=O)CO/C=C
\CCCCCCCCCCCC
MS Spectra-     
StatusActive (generated by computational methods)