Structure database (LMSD)Return to Databases Overview
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| LM ID | LMGP06010047 | |||||||||||||||||||||||||||
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| Common Name | PI(13:0/18:3(6Z,9Z,12Z)) | |||||||||||||||||||||||||||
| Systematic Name | 1-tridecanoyl-2-(6Z,9Z,12Z-octadecatrienoyl)-glycero-3-phospho-(1'-myo- inositol) | |||||||||||||||||||||||||||
| Synonyms | PI(31:3); PI(13:0_18:3) | |||||||||||||||||||||||||||
| Exact Mass | ||||||||||||||||||||||||||||
| Formula | C40H71O13P | |||||||||||||||||||||||||||
| Category | Glycerophospholipids [GP] | |||||||||||||||||||||||||||
| Main Class | Glycerophosphoinositols [GP06] | |||||||||||||||||||||||||||
| Sub Class | Diacylglycerophosphoinositols [GP0601] | |||||||||||||||||||||||||||
| Abbrev | PI 31:3 | |||||||||||||||||||||||||||
| Abbrev Chains | PI 13:0_18:3 | |||||||||||||||||||||||||||
| PubChem CID | 52927500 | |||||||||||||||||||||||||||
| SWISSLIPIDS ID | SLM:000020576 | |||||||||||||||||||||||||||
| InChIKey | XSEQPAZHLYCSJD-PXFASJQTSA-N Show lipids differing only in stereochemistry/bond geometry | |||||||||||||||||||||||||||
| InChI |
InChI=1S/C40H71O13P/c1-3-5-7-9-11-13-15-16-17-18-19-21-23-25-27-29-34(42)52-32(30-50-33(41)28-26-24-22-20-14-12-10-8-6-4-2)31-51-54(48,49)53-40-38(46)36(44)35(43)37(45)39(40)47/h11,13,16-17,19,21,32,35-40,43-47H,3-10,12,14-15,18,20,22-31H2,1-2H3,(H,48,49)/b13-11-,17-16-,21-19-/t32-,35?,36-,37?,38?,39?,40-/m1/s1
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| SMILES |
[C@]([H])(OC(CCCC/C=C\C/C=C\C/C=C\CCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(O)C1O)COC(CCCCCCCCCCCC)=O
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| 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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