In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP05019AAB
Common NamePGP(10:0/11:0)
Systematic Name1-decanoyl-2-undecanoyl-sn-glycero-3-phospho-(1'-sn-glycerol-3'-phosphate)
SynonymsPGP(21:0); PGP(10:0_11:0)
Exact Mass
648.3040 (neutral)    Calculate m/z:
FormulaC27H54O13P2
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphoglycerophosphates [GP05]
Sub ClassDiacylglycerophosphoglycerophosphates [GP0501]
PubChem Compound ID (CID)-
InChIKeyMQQGNKXTIAAALB-LOSJGSFVSA-N
InChIInChI=1S/C27H54O13P2/c1-3-5-7-9-11-13-15-17-19-27(30)40-25(22-36-26(29)18-16-14-
12-10-8-6-4-2)23-39-42(34,35)38-21-24(28)20-37-41(31,32)33/h24-25,28H,3-23H2,1-2
H3,(H,34,35)(H2,31,32,33)/t24-,25+/m0/s1
SMILES[H][C@](O)(COP(O)(O)=O)COP(OC[C@]([H])(OC(CCCCCCCCCC)=O)COC(CCCCCCCCC)=O)(=O)O
MS Spectra-     
StatusActive (generated by computational methods)