Structure database (LMSD)Return to Databases Overview
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| LM ID | LMGP01020003 | |||||||||||||||||||||||||||
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| Common Name | PC(O-16:0/18:1(9Z)) | |||||||||||||||||||||||||||
| Systematic Name | 1-hexadecyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine | |||||||||||||||||||||||||||
| Synonyms | PC(O-16:0/18:1); PC(O-34:1); PC(O-16:0/18:1) | |||||||||||||||||||||||||||
| Exact Mass | ||||||||||||||||||||||||||||
| Formula | C42H84NO7P | |||||||||||||||||||||||||||
| Category | Glycerophospholipids [GP] | |||||||||||||||||||||||||||
| Main Class | Glycerophosphocholines [GP01] | |||||||||||||||||||||||||||
| Sub Class | 1-alkyl,2-acylglycerophosphocholines [GP0102] | |||||||||||||||||||||||||||
| Abbrev | PC O-34:1 | |||||||||||||||||||||||||||
| Abbrev Chains | PC O-16:0/18:1 | |||||||||||||||||||||||||||
| LIPIDAT ID | 7361 | |||||||||||||||||||||||||||
| PubChem CID | 24779266 | |||||||||||||||||||||||||||
| CHEBI ID | 34112 | |||||||||||||||||||||||||||
| SWISSLIPIDS ID | SLM:000028163 | |||||||||||||||||||||||||||
| InChIKey | SIEDNCDNGMIKST-IYEJTHTFSA-N Show lipids differing only in stereochemistry/bond geometry | |||||||||||||||||||||||||||
| InChI |
InChI=1S/C42H84NO7P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-42(44)50-41(40-49-51(45,46)48-38-36-43(3,4)5)39-47-37-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h20,22,41H,6-19,21,23-40H2,1-5H3/b22-20-/t41-/m1/s1
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| SMILES |
[C@]([H])(OC(CCCCCCC/C=C\CCCCCCCC)=O)(COP(=O)([O-])OCC[N+](C)(C)C)COCCCCCCCCCCCCCCCC
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| MS Spectra | View MoNA MS spectra Predict MS/MS spectrum (Neg. mode) | |||||||||||||||||||||||||||
| 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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