Structure database (LMSD)Return to Databases Overview
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| LM ID | LMGP06060002 | |||||||||||||||||||||||||||
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| Common Name | PI(O-18:0/0:0) | |||||||||||||||||||||||||||
| Systematic Name | 1-octadecyl-glycero-3-phospho-(1'-myo-inositol) | |||||||||||||||||||||||||||
| Synonyms | LPI(O-18:0) | |||||||||||||||||||||||||||
| Exact Mass | ||||||||||||||||||||||||||||
| Formula | C27H55O11P | |||||||||||||||||||||||||||
| Category | Glycerophospholipids [GP] | |||||||||||||||||||||||||||
| Main Class | Glycerophosphoinositols [GP06] | |||||||||||||||||||||||||||
| Sub Class | Monoalkylglycerophosphoinositols [GP0606] | |||||||||||||||||||||||||||
| Abbrev | LPI O-18:0 | |||||||||||||||||||||||||||
| Abbrev Chains | LPI O-18:0 | |||||||||||||||||||||||||||
| PubChem CID | 52928629 | |||||||||||||||||||||||||||
| SWISSLIPIDS ID | SLM:000055176 | |||||||||||||||||||||||||||
| InChIKey | BDLQBUDICUCZRI-RDGQAVELSA-N Show lipids differing only in stereochemistry/bond geometry | |||||||||||||||||||||||||||
| InChI |
InChI=1S/C27H55O11P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-36-19-21(28)20-37-39(34,35)38-27-25(32)23(30)22(29)24(31)26(27)33/h21-33H,2-20H2,1H3,(H,34,35)/t21-,22?,23-,24?,25?,26?,27-/m1/s1
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| SMILES |
[C@]([H])(O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(O)C1O)COCCCCCCCCCCCCCCCCCC
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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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