In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP05019AAM
Common NamePGP(10:0/17:1(9Z))
Systematic Name1-decanoyl-2-(9Z-heptadecenoyl)-sn-glycero-3-phospho-(1'-sn-glycerol-3'-
phosphate)
SynonymsPGP(27:1); PGP(10:0_17:1)
Exact Mass
730.3822 (neutral)    Calculate m/z:
FormulaC33H64O13P2
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphoglycerophosphates [GP05]
Sub ClassDiacylglycerophosphoglycerophosphates [GP0501]
PubChem Compound ID (CID)-
InChIKeyJWGRBHFWOKDLPV-FSYULMFSSA-N
InChIInChI=1S/C33H64O13P2/c1-3-5-7-9-11-12-13-14-15-16-17-19-21-23-25-33(36)46-31(28-
42-32(35)24-22-20-18-10-8-6-4-2)29-45-48(40,41)44-27-30(34)26-43-47(37,38)39/h13
-14,30-31,34H,3-12,15-29H2,1-2H3,(H,40,41)(H2,37,38,39)/b14-13-/t30-,31+/m0/s1
SMILES[H][C@](O)(COP(O)(O)=O)COP(OC[C@]([H])(OC(CCCCCCC/C=C\CCCCCCC)=O)COC(CCCCCCCCC)=
O)(=O)O
MS Spectra-     
StatusActive (generated by computational methods)