Structure database (LMSD)Return to Databases Overview
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| LM ID | LMGP02010767 | |||||||||||||||||||||||||||
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| Common Name | PE(18:4(6Z,9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z)) | |||||||||||||||||||||||||||
| Systematic Name | 1-(6Z,9Z,12Z,15Z-octadecatetraenoyl)-2-(7Z,10Z,13Z,16Z-docosatetraenoyl)- glycero-3-phosphoethanolamine | |||||||||||||||||||||||||||
| Synonyms | PE(40:8); PE(18:4_22:4) | |||||||||||||||||||||||||||
| Exact Mass | ||||||||||||||||||||||||||||
| Formula | C45H74NO8P | |||||||||||||||||||||||||||
| Category | Glycerophospholipids [GP] | |||||||||||||||||||||||||||
| Main Class | Glycerophosphoethanolamines [GP02] | |||||||||||||||||||||||||||
| Sub Class | Diacylglycerophosphoethanolamines [GP0201] | |||||||||||||||||||||||||||
| Abbrev | PE 40:8 | |||||||||||||||||||||||||||
| Abbrev Chains | PE 18:4_22:4 | |||||||||||||||||||||||||||
| PubChem CID | 52924468 | |||||||||||||||||||||||||||
| HMDB ID | HMDB0009207 | |||||||||||||||||||||||||||
| SWISSLIPIDS ID | SLM:000033384 | |||||||||||||||||||||||||||
| InChIKey | HMUNESAIQZELST-AQPMPDAQSA-N Show lipids differing only in stereochemistry/bond geometry | |||||||||||||||||||||||||||
| InChI |
InChI=1S/C45H74NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-45(48)54-43(42-53-55(49,50)52-40-39-46)41-51-44(47)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-19,21-23,26-29,43H,3-5,7,9-10,15-16,20,24-25,30-42,46H2,1-2H3,(H,49,50)/b8-6-,13-11-,14-12-,19-17-,22-21-,23-18-,28-26-,29-27-/t43-/m1/s1
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| SMILES |
[C@](COP(=O)(O)OCCN)([H])(OC(CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)=O)COC(CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)=O
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| Status | Active (generated by computational methods) | |||||||||||||||||||||||||||
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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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