Structure database (LMSD)Return to Databases Overview
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| LM ID | LMGP06010463 | |||||||||||||||||||||||||||
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| Common Name | PI(19:1(9Z)/18:3(9Z,12Z,15Z)) | |||||||||||||||||||||||||||
| Systematic Name | 1-(9Z-nonadecenoyl)-2-(9Z,12Z,15Z-octadecatrienoyl)-glycero-3-phospho-(1'-myo- inositol) | |||||||||||||||||||||||||||
| Synonyms | PI(37:4); PI(18:3_19:1) | |||||||||||||||||||||||||||
| Exact Mass | ||||||||||||||||||||||||||||
| Formula | C46H81O13P | |||||||||||||||||||||||||||
| Category | Glycerophospholipids [GP] | |||||||||||||||||||||||||||
| Main Class | Glycerophosphoinositols [GP06] | |||||||||||||||||||||||||||
| Sub Class | Diacylglycerophosphoinositols [GP0601] | |||||||||||||||||||||||||||
| Abbrev | PI 37:4 | |||||||||||||||||||||||||||
| Abbrev Chains | PI 18:3_19:1 | |||||||||||||||||||||||||||
| PubChem CID | 52927916 | |||||||||||||||||||||||||||
| InChIKey | WATJQWWILNUJMY-XSDUOKMCSA-N Show lipids differing only in stereochemistry/bond geometry | |||||||||||||||||||||||||||
| InChI |
InChI=1S/C46H81O13P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-39(47)56-36-38(37-57-60(54,55)59-46-44(52)42(50)41(49)43(51)45(46)53)58-40(48)35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,18-21,38,41-46,49-53H,3-5,7,9-11,13,15-17,22-37H2,1-2H3,(H,54,55)/b8-6-,14-12-,20-18-,21-19-/t38-,41-,42-,43+,44-,45-,46-/m1/s1
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| SMILES |
[C@]([H])(OC(CCCCCCC/C=C\C/C=C\C/C=C\CC)=O)(COP(=O)(O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O)COC(CCCCCCC/C=C\CCCCCCCCC)=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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