Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP15010041
Common NamePIM1(19:1(9Z)/16:2(9Z,12Z))
Systematic Name2'-O-(α-D-Manp)-(1-(9Z-nonadecenoyl)-2-(9Z,12Z-hexadecadienoyl)-sn-glycero-3-
SynonymsPIM1(35:3); PIM1(16:2_19:1)
Exact Mass
1008.5787 (neutral)    Calculate m/z:
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphoinositolglycans [GP15]
Sub ClassDiacylglycerophosphoinositolglycans [GP1501]
AbbrevPIM1 35:3
Abbrev ChainsPIM1 16:2_19:1
PubChem CID126457409
InChIKeyCQEWGFWPBGIEOV-CWYYFOJCSA-N  Show lipids differing only in stereochemistry/bond geometry
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StatusActive (generated by computational methods)
SpeciesMycobacterium tuberculosis
Calculated physicochemical properties (?):
 Heavy Atoms69Rings2Aromatic Rings0Rotatable Bonds41
 van der Waals
Molecular Volume
1013.69Topological Polar
Surface Area
Bond Donors
Bond Acceptors
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.