LIPID MAPS® Maintenance
Routine maintanance of the LIPID MAPS® web systems is scheduled for Friday 25th September, 2020.
LIPID MAPS® services will be 'at risk' all day. We apologise for any inconvenience this may cause.

Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP01050062
Common NamePC(6:0/0:0)
Systematic Name1-hexanoyl-sn-glycero-3-phosphocholine
SynonymsLPC(6:0)
Exact Mass
355.1760 (neutral)    Calculate m/z:
FormulaC14H30NO7P
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphocholines [GP01]
Sub ClassMonoacylglycerophosphocholines [GP0105]
AbbrevLPC 6:0
Abbrev ChainsLPC 6:0
LIPIDAT ID7263
PubChem CID13917464
HMDB IDHMDB0029207
CHEBI ID78215
SWISSLIPIDS IDSLM:000020767
InChIKeyWDNDPXJAUNUOFK-CYBMUJFWSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C14H30NO7P/c1-5-6-7-8-14(17)20-11-13(16)12-22-23(18,19)21-10-9-15(2,3)4/h13,16H,5-12H2,1-4H3/t13-/m1/s1
Click to highlight InChI
SMILES
[C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(O)COC(CCCCC)=O
Click to highlight SMILES
MS SpectraView MoNA MS spectra      Predict MS/MS spectrum (Neg. mode)
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms23Rings0Aromatic Rings0Rotatable Bonds14
 van der Waals
Molecular Volume
340.48Topological Polar
Surface Area
105.12Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
8
 logP2.10Molar
Refractivity
85.99    
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.