Structure database (LMSD)

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LM IDLMGP04090001
Common NameSLBPA(42:0)
Systematic Name2,3-ditetradecanoyl-sn-glycero-1-phospho-(2'-lyso-3'-tetradecanoyl -1'-sn -
glycerol)
SynonymsSLBPA(42:0)
Exact Mass
876.6456 (neutral)    Calculate m/z:
FormulaC48H93O11P
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphoglycerols [GP04]
Sub ClassDiacylglycerophosphomonoradylglycerols [GP0409]
AbbrevSLBPA 42:0
PubChem CID56940664
InChIKeyHLSZVIULNVUBQI-GSVOJQHPSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C48H93O11P/c1-4-7-10-13-16-19-22-25-28-31-34-37-46(50)55-40-44(49)41-57-60(53,54)58-43-45(59-48(52)39-36-33-30-27-24-21-18-15-12-9-6-3)42-56-47(51)38-35-32-29-26-23-20-17-14-11-8-5-2/h44-45,49H,4-43H2,1-3H3,(H,53,54)/t44-,45-/m0/s1
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SMILES
O(P(OC[C@](O)([H])COC(CCCCCCCCCCCCC)=O)(O)=O)C[C@@]([H])(OC(CCCCCCCCCCCCC)=O)COC(CCCCCCCCCCCCC)=O
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms60Rings0Aromatic Rings0Rotatable Bonds50
 van der Waals
Molecular Volume
947.56Topological Polar
Surface Area
154.89Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
11
 logP15.46Molar
Refractivity
245.61    
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.