Structure database (LMSD)Return to Databases Overview
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| LM ID | LMGP04010939 | |||||||||||||||||||||||||||
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| Common Name | PG(12:0/22:0) | |||||||||||||||||||||||||||
| Systematic Name | 1-dodecanoyl-2-docosanoyl-glycero-3-phospho-(1'-sn-glycerol) | |||||||||||||||||||||||||||
| Synonyms | PG(34:0); PG(12:0_22:0) | |||||||||||||||||||||||||||
| Exact Mass | ||||||||||||||||||||||||||||
| Formula | C40H79O10P | |||||||||||||||||||||||||||
| Category | Glycerophospholipids [GP] | |||||||||||||||||||||||||||
| Main Class | Glycerophosphoglycerols [GP04] | |||||||||||||||||||||||||||
| Sub Class | Diacylglycerophosphoglycerols [GP0401] | |||||||||||||||||||||||||||
| Abbrev | PG 34:0 | |||||||||||||||||||||||||||
| Abbrev Chains | PG 12:0_22:0 | |||||||||||||||||||||||||||
| PubChem CID | 52927203 | |||||||||||||||||||||||||||
| SWISSLIPIDS ID | SLM:000041694 | |||||||||||||||||||||||||||
| InChIKey | SPFRLTWPPAORML-QPPIDDCLSA-N Show lipids differing only in stereochemistry/bond geometry | |||||||||||||||||||||||||||
| InChI |
InChI=1S/C40H79O10P/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-24-26-28-30-32-40(44)50-38(36-49-51(45,46)48-34-37(42)33-41)35-47-39(43)31-29-27-25-23-12-10-8-6-4-2/h37-38,41-42H,3-36H2,1-2H3,(H,45,46)/t37-,38+/m0/s1
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| SMILES |
[H][C@](O)(CO)COP(OC[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCC)=O)COC(CCCCCCCCCCC)=O)(=O)O
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| MS Spectra | View MoNA MS spectra Predict MS/MS spectrum (Neg. mode) | |||||||||||||||||||||||||||
| 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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