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LM ID | LMGP03050013 | |||||||||||||||||||||||||||
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Common Name | PS(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0) | |||||||||||||||||||||||||||
Systematic Name | 1-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-glycero-3-phosphoserine | |||||||||||||||||||||||||||
Synonyms | LPS(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0); LPS(22:6) | |||||||||||||||||||||||||||
Exact Mass | ||||||||||||||||||||||||||||
Formula | C28H44NO9P | |||||||||||||||||||||||||||
Category | Glycerophospholipids [GP] | |||||||||||||||||||||||||||
Main Class | Glycerophosphoserines [GP03] | |||||||||||||||||||||||||||
Sub Class | Monoacylglycerophosphoserines [GP0305] | |||||||||||||||||||||||||||
PubChem CID | 52926281 | |||||||||||||||||||||||||||
SWISSLIPIDS ID | SLM:000030054 | |||||||||||||||||||||||||||
InChIKey | FZUFCKYWYUGORZ-SLSDLOGTSA-N Show lipids differing only in stereochemistry/bond geometry | |||||||||||||||||||||||||||
InChI | InChI=1S/C28H44NO9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-27(31 )36-22-25(30)23-37-39(34,35)38-24-26(29)28(32)33/h3-4,6-7,9-10,12-13,15-16,18-19 ,25-26,30H,2,5,8,11,14,17,20-24,29H2,1H3,(H,32,33)(H,34,35)/b4-3-,7-6-,10-9-,13- 12-,16-15-,19-18-/t25-,26+/m1/s1 | |||||||||||||||||||||||||||
SMILES | C(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(O)COC(CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\ CC)=O)(=O)O | |||||||||||||||||||||||||||
MS Spectra | - Predict MS/MS spectrum (Neg. mode) | |||||||||||||||||||||||||||
Status | Active | |||||||||||||||||||||||||||
References | Improved method for the quantification of lysophospholipids including enol ether species by liquid chromatography-tandem mass spectrometry James G. Bollinger, Hiromi Ii, Martin Sadilek, and Michael H. Gelb J. Lipid Res. 010 51:(2) 440-447 | |||||||||||||||||||||||||||
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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. |