In-Silico Structure database (LMISSD)

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LM IDLMGP05029AA1
Common NamePGP(O-14:0/18:2(9E,12E))
Systematic Name1-tetradecyl-2-(9E,12E-octadecadienoyl)-sn-glycero-3-phospho-(1'-sn-glycerol-
3'-phosphate)
SynonymsPGP(O-32:2); PGP(O-14:0/18:2)
Exact Mass
784.4656 (neutral)    Calculate m/z:
FormulaC38H74O12P2
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphoglycerophosphates [GP05]
Sub Class1-alkyl,2-acylglycerophosphoglycerophosphates [GP0502]
PubChem Compound ID (CID)-
InChIKeyNGBMBGMAYIJSAJ-OMYQOVDMSA-N
InChIInChI=1S/C38H74O12P2/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-38(40)50-37(
35-49-52(44,45)48-33-36(39)32-47-51(41,42)43)34-46-31-29-27-25-23-21-16-14-12-10
-8-6-4-2/h11,13,17-18,36-37,39H,3-10,12,14-16,19-35H2,1-2H3,(H,44,45)(H2,41,42,4
3)/b13-11+,18-17+/t36-,37+/m0/s1
SMILES[C@]([H])(OC(CCCCCCC/C=C/C/C=C/CCCCC)=O)(COP(=O)(O)OC[C@@]([H])(O)COP(O)(O)=O)CO
CCCCCCCCCCCCCC
MS Spectra-     
StatusActive (generated by computational methods)