Structure database (LMSD)Return to Databases Overview
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| LM ID | LMGP02010052 | |||||||||||||||||||||||||||
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| Common Name | PE(18:1(9Z)/18:1(9Z)) | |||||||||||||||||||||||||||
| Systematic Name | 1,2-di-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine | |||||||||||||||||||||||||||
| Synonyms | Dioleoyl phosphatidylethanolamine; 9-Octadecenoic acid (Z)-, 1-[[[(2- aminoethoxy)hydroxyphosphinyl]oxy]methyl]-1,2-ethanediyl ester, (R)-; Ethanol, 2-amino-, dihydrogen phosphate (ester), monoester with 1,2-diolein, L-; Olein, 1,2-di-, 2-aminoethyl hydrogen phosphate, L-; 1,2-Dioleoyl-sn-gl; PE(18:1/18:1) ; PE(36:2); PE(18:1_18:1) | |||||||||||||||||||||||||||
| Exact Mass | ||||||||||||||||||||||||||||
| Formula | C41H78NO8P | |||||||||||||||||||||||||||
| Category | Glycerophospholipids [GP] | |||||||||||||||||||||||||||
| Main Class | Glycerophosphoethanolamines [GP02] | |||||||||||||||||||||||||||
| Sub Class | Diacylglycerophosphoethanolamines [GP0201] | |||||||||||||||||||||||||||
| Abbrev | PE 36:2 | |||||||||||||||||||||||||||
| Abbrev Chains | PE 18:1_18:1 | |||||||||||||||||||||||||||
| LIPIDAT ID | 5785 | |||||||||||||||||||||||||||
| PubChem CID | 9546757 | |||||||||||||||||||||||||||
| HMDB ID | HMDB0009059 | |||||||||||||||||||||||||||
| CHEBI ID | 74986 | |||||||||||||||||||||||||||
| SWISSLIPIDS ID | SLM:000034898 | |||||||||||||||||||||||||||
| CAYMAN ID | 15091 | |||||||||||||||||||||||||||
| InChIKey | MWRBNPKJOOWZPW-NYVOMTAGSA-N Show lipids differing only in stereochemistry/bond geometry | |||||||||||||||||||||||||||
| InChI |
InChI=1S/C41H78NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(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/h17-20,39H,3-16,21-38,42H2,1-2H3,(H,45,46)/b19-17-,20-18-/t39-/m1/s1
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| SMILES |
[C@](COP(=O)(O)OCCN)([H])(OC(CCCCCCC/C=C\CCCCCCCC)=O)COC(CCCCCCC/C=C\CCCCCCCC)=O
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| MS Spectra | View MoNA MS spectra Predict MS/MS spectrum (Neg. mode) | |||||||||||||||||||||||||||
| Ion mobility | View Ion mobility data | |||||||||||||||||||||||||||
| MS Standard | View lipid standard | |||||||||||||||||||||||||||
| 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. |
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