Structure database (LMSD)Return to Databases Overview
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| LM ID | LMGP02010098 | |||||||||||||||||||||||||||
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| Common Name | PE(12:0/12:0) | |||||||||||||||||||||||||||
| Systematic Name | 1,2-didodecanoyl-sn-glycero-3-phosphoethanolamine | |||||||||||||||||||||||||||
| Synonyms | Dilauroyl phosphatidylethanolamine; Dodecanoic acid, 1-[[[(2-aminoethoxy) hydroxyphosphinyl]oxy]methyl]-1,2-ethanediyl ester, (R)-; β,γ-Dilauroyl-L-α- phosphatidylethanolamine; 1,2-Dilauroyl-3-sn-phosphatidylethanolamine; 1,2- Dilauroyl-sn-glycero-3-phosphoethanolamine; 1,2-Dilauroyl; PE(24:0); PE(12:0_12:0) | |||||||||||||||||||||||||||
| Exact Mass | ||||||||||||||||||||||||||||
| Formula | C29H58NO8P | |||||||||||||||||||||||||||
| Category | Glycerophospholipids [GP] | |||||||||||||||||||||||||||
| Main Class | Glycerophosphoethanolamines [GP02] | |||||||||||||||||||||||||||
| Sub Class | Diacylglycerophosphoethanolamines [GP0201] | |||||||||||||||||||||||||||
| Abbrev | PE 24:0 | |||||||||||||||||||||||||||
| Abbrev Chains | PE 12:0_12:0 | |||||||||||||||||||||||||||
| LIPIDAT ID | 8397 | |||||||||||||||||||||||||||
| PubChem CID | 9546801 | |||||||||||||||||||||||||||
| SWISSLIPIDS ID | SLM:000034904 | |||||||||||||||||||||||||||
| CAYMAN ID | 15089 | |||||||||||||||||||||||||||
| InChIKey | ZLGYVWRJIZPQMM-HHHXNRCGSA-N Show lipids differing only in stereochemistry/bond geometry | |||||||||||||||||||||||||||
| InChI |
InChI=1S/C29H58NO8P/c1-3-5-7-9-11-13-15-17-19-21-28(31)35-25-27(26-37-39(33,34)36-24-23-30)38-29(32)22-20-18-16-14-12-10-8-6-4-2/h27H,3-26,30H2,1-2H3,(H,33,34)/t27-/m1/s1
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| SMILES |
[C@](COP(=O)(O)OCCN)([H])(OC(CCCCCCCCCCC)=O)COC(CCCCCCCCCCC)=O
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| MS Spectra | View MoNA MS spectra Predict MS/MS spectrum (Neg. mode) | |||||||||||||||||||||||||||
| Ion mobility | View Ion mobility data | |||||||||||||||||||||||||||
| 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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