Structure database (LMSD)Return to Databases Overview
|
| ||||||||||||||||||||||||||||
| LM ID | LMGP01010004 | |||||||||||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Common Name | PC(21:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) | |||||||||||||||||||||||||||
| Systematic Name | 1-heneicosanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3- phosphocholine | |||||||||||||||||||||||||||
| Synonyms | PC(21:0/22:6); PC(43:6); PC(21:0_22:6) | |||||||||||||||||||||||||||
| Exact Mass | ||||||||||||||||||||||||||||
| Formula | C51H90NO8P | |||||||||||||||||||||||||||
| Category | Glycerophospholipids [GP] | |||||||||||||||||||||||||||
| Main Class | Glycerophosphocholines [GP01] | |||||||||||||||||||||||||||
| Sub Class | Diacylglycerophosphocholines [GP0101] | |||||||||||||||||||||||||||
| Abbrev | PC 43:6 | |||||||||||||||||||||||||||
| Abbrev Chains | PC 21:0_22:6 | |||||||||||||||||||||||||||
| PubChem CID | 24778519 | |||||||||||||||||||||||||||
| SWISSLIPIDS ID | SLM:000013003 | |||||||||||||||||||||||||||
| AVANTI ID | LM1003 | |||||||||||||||||||||||||||
| InChIKey | MBNMYHRROGWUAS-AWYUTHGESA-N Show lipids differing only in stereochemistry/bond geometry | |||||||||||||||||||||||||||
| InChI |
InChI=1S/C51H90NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-51(54)60-49(48-59-61(55,56)58-46-45-52(3,4)5)47-57-50(53)43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h8,10,14,16,20,22,26,28,32,34,38,40,49H,6-7,9,11-13,15,17-19,21,23-25,27,29-31,33,35-37,39,41-48H2,1-5H3/b10-8-,16-14-,22-20-,28-26-,34-32-,40-38-/t49-/m1/s1
Click to highlight InChI
|
|||||||||||||||||||||||||||
| SMILES |
[C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(OC(CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)=O)COC(CCCCCCCCCCCCCCCCCCCC)=O
Click to highlight SMILES
|
|||||||||||||||||||||||||||
| MS Spectra | View MoNA MS spectra Predict MS/MS spectrum (Neg. mode) | |||||||||||||||||||||||||||
| MS Standard | View lipid standard | |||||||||||||||||||||||||||
| Status | Active | |||||||||||||||||||||||||||
| ||||||||||||||||||||||||||||
| ||||||||||||||||||||||||||||
|
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. |
||||||||||||||||||||||||||||