Structure database (LMSD)Return to Databases Overview
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| LM ID | LMGP01010890 | |||||||||||||||||||||||||||
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| Common Name | PC(18:1(9Z)/18:1(9Z)) | |||||||||||||||||||||||||||
| Systematic Name | 1,2-di-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine | |||||||||||||||||||||||||||
| Synonyms | Dioleoyl phosphatidylcholine; DOPC; Choline phosphate, 3-ester with L-1,2- diolein;Olein, 1,2-di-, L-, dihydrogen phosphate, monoester with choline hydroxide; 1,2-Dioleoyl-L-α-lecithin; 1,2-dioleoyl-sn-glycero-3- phosphocholine; PC(18:1/18:1); PC(36:2); PC(18:1/18:1) | |||||||||||||||||||||||||||
| Exact Mass | ||||||||||||||||||||||||||||
| Formula | C44H84NO8P | |||||||||||||||||||||||||||
| Category | Glycerophospholipids [GP] | |||||||||||||||||||||||||||
| Main Class | Glycerophosphocholines [GP01] | |||||||||||||||||||||||||||
| Sub Class | Diacylglycerophosphocholines [GP0101] | |||||||||||||||||||||||||||
| Abbrev | PC 36:2 | |||||||||||||||||||||||||||
| Abbrev Chains | PC 18:1/18:1 | |||||||||||||||||||||||||||
| LIPIDAT ID | 7165 | |||||||||||||||||||||||||||
| PubChem CID | 10350317 | |||||||||||||||||||||||||||
| HMDB ID | HMDB0062690 | |||||||||||||||||||||||||||
| CHEBI ID | 74669 | |||||||||||||||||||||||||||
| SWISSLIPIDS ID | SLM:000000798 | |||||||||||||||||||||||||||
| CAYMAN ID | 15098 | |||||||||||||||||||||||||||
| InChIKey | SNKAWJBJQDLSFF-NVKMUCNASA-N Show lipids differing only in stereochemistry/bond geometry | |||||||||||||||||||||||||||
| InChI |
InChI=1S/C44H84NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h20-23,42H,6-19,24-41H2,1-5H3/b22-20-,23-21-/t42-/m1/s1
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| SMILES |
[C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(OC(CCCCCCC/C=C\CCCCCCCC)=O)COC(CCCCCCC/C=C\CCCCCCCC)=O
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| MS Spectra | View MoNA MS spectra Predict MS/MS spectrum (Neg. mode) | |||||||||||||||||||||||||||
| Ion mobility | View Ion mobility data | |||||||||||||||||||||||||||
| MS Standard | View lipid standard | |||||||||||||||||||||||||||
| 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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