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LM ID | LMGP02010036 | |||||||||||||||||||||||||||
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Common Name | PE(18:0/18:1(9Z)) | |||||||||||||||||||||||||||
Systematic Name | 1-octadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine | |||||||||||||||||||||||||||
Synonyms | 9-Octadecenoic acid (Z)-, 1-[[[(2-aminoethoxy)hydroxyphosphinyl]oxy]methyl]-2- (1-octadecenyloxy)ethyl ester, (R)-; PE(18:0/18:1); PE(36:1); PE(18:0_18:1) | |||||||||||||||||||||||||||
Exact Mass | ||||||||||||||||||||||||||||
Formula | C41H80NO8P | |||||||||||||||||||||||||||
Category | Glycerophospholipids [GP] | |||||||||||||||||||||||||||
Main Class | Glycerophosphoethanolamines [GP02] | |||||||||||||||||||||||||||
Sub Class | Diacylglycerophosphoethanolamines [GP0201] | |||||||||||||||||||||||||||
LIPIDAT ID | 1075 | |||||||||||||||||||||||||||
PubChem CID | 9546742 | |||||||||||||||||||||||||||
HMDB ID | HMDB0008993 | |||||||||||||||||||||||||||
SWISSLIPIDS ID | SLM:000036001 | |||||||||||||||||||||||||||
InChIKey | JQKOHRZNEOQNJE-DJEJVYNPSA-N Show lipids differing only in stereochemistry/bond geometry | |||||||||||||||||||||||||||
InChI | InChI=1S/C41H80NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-3 9(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6 -4-2/h18,20,39H,3-17,19,21-38,42H2,1-2H3,(H,45,46)/b20-18-/t39-/m1/s1 | |||||||||||||||||||||||||||
SMILES | [C@](COP(=O)(O)OCCN)([H])(OC(CCCCCCC/C=C\CCCCCCCC)=O)COC(CCCCCCCCCCCCCCCCC)=O | |||||||||||||||||||||||||||
MS Spectra | View MoNA MS spectra Predict MS/MS spectrum (Neg. mode) | |||||||||||||||||||||||||||
Status | Active | |||||||||||||||||||||||||||
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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. |