Structure database (LMSD)

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LM IDLMGP04010024
Common NamePG(15:0/15:0)
Systematic Name1,2-dipentadecanoyl-sn-glycero-3-phospho-(1'-sn-glycerol)
SynonymsPentadecanoic acid, 1-[[[(2,3-dihydroxypropoxy)hydroxyphosphinyl]oxy]methyl]-1,
2-ethanediyl ester, (R)-; PG(30:0); PG(15:0/15:0)
Exact Mass
694.4785 (neutral)    Calculate m/z:
FormulaC36H71O10P
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphoglycerols [GP04]
Sub ClassDiacylglycerophosphoglycerols [GP0401]
AbbrevPG 30:0
Abbrev ChainsPG 15:0/15:0
LIPIDAT ID9066
PubChem CID9547118
SWISSLIPIDS IDSLM:000041310
InChIKeyYWGQFCQRZHYWAU-SZAHLOSFSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C36H71O10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-35(39)43-31-34(32-45-47(41,42)44-30-33(38)29-37)46-36(40)28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33-34,37-38H,3-32H2,1-2H3,(H,41,42)/t33-,34+/m0/s1
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SMILES
[H][C@](O)(CO)COP(OC[C@]([H])(OC(CCCCCCCCCCCCCC)=O)COC(CCCCCCCCCCCCCC)=O)(=O)O
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MS SpectraView MoNA MS spectra      Predict MS/MS spectrum (Neg. mode)
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms47Rings0Aromatic Rings0Rotatable Bonds38
 van der Waals
Molecular Volume
733.81Topological Polar
Surface Area
148.82Hydrogen
Bond Donors
3Hydrogen
Bond Acceptors
10
 logP10.99Molar
Refractivity
189.90    
LIPID MAPS® abbreviations for glycerophospholipids (GP)

The LIPID MAPS® glycerophospholipid abbreviations (PC, PE, etc.) are used here to refer to species with one or two radyl side-chains where the structures of the side chains are indicated within parentheses in the 'Headgroup(sn1/sn2)' format (e.g. PC(16:0/18:1(9Z)). By default, R stereochemistry at the C-2 carbon of glycerol and attachment of the headgroup at the sn3 position is assumed. Also, acyl chains are assumed by default. The 'O-' prefix is used to indicate the presence of an alkyl ether substituent e.g. PC(O-16:0/18:1(9Z)), whereas the 'P-' prefix is used for the 1Z-alkenyl ether (Plasmalogen) substituent e.g. PC(P-16:0/18:1(9Z)).

For molecules with opposite (S) stereochemistry at C2 of the glycerol group and attachment of the headgroup at the sn1 position, the stereochemistry specification of [S] is appended to the abbreviation. The 'Headgroup(sn3/sn2)' abbreviation format is used.

For molecules with unknown stereochemistry at the C-2 carbon of the glycerol group, the stereochemistry specification of [U] is appended to the abbreviation and the structure is drawn with C-2 stereochemistry unspecified.