Structure database (LMSD)Return to Databases Overview
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| LM ID | LMGP15010041 | |||||||||||||||||||||||||||
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| Common Name | PIM1(19:1(9Z)/16:2(9Z,12Z)) | |||||||||||||||||||||||||||
| Systematic Name | 2'-O-(α-D-Manp)-(1-(9Z-nonadecenoyl)-2-(9Z,12Z-hexadecadienoyl)-sn-glycero-3- phospho-1'-myo-inositol) | |||||||||||||||||||||||||||
| Synonyms | PIM1(35:3); PIM1(16:2_19:1) | |||||||||||||||||||||||||||
| Exact Mass | ||||||||||||||||||||||||||||
| Formula | C50H89O18P | |||||||||||||||||||||||||||
| Category | Glycerophospholipids [GP] | |||||||||||||||||||||||||||
| Main Class | Glycerophosphoinositolglycans [GP15] | |||||||||||||||||||||||||||
| Sub Class | Diacylglycerophosphoinositolglycans [GP1501] | |||||||||||||||||||||||||||
| Abbrev | PIM1 35:3 | |||||||||||||||||||||||||||
| Abbrev Chains | PIM1 16:2_19:1 | |||||||||||||||||||||||||||
| PubChem CID | 126457409 | |||||||||||||||||||||||||||
| InChIKey | CQEWGFWPBGIEOV-CWYYFOJCSA-N Show lipids differing only in stereochemistry/bond geometry | |||||||||||||||||||||||||||
| InChI |
InChI=1S/C50H89O18P/c1-3-5-7-9-11-13-15-17-18-19-21-22-24-26-28-30-32-39(52)63-35-37(65-40(53)33-31-29-27-25-23-20-16-14-12-10-8-6-4-2)36-64-69(61,62)68-49-46(59)44(57)43(56)45(58)48(49)67-50-47(60)42(55)41(54)38(34-51)66-50/h8,10,14,16,18-19,37-38,41-51,54-60H,3-7,9,11-13,15,17,20-36H2,1-2H3,(H,61,62)/b10-8-,16-14-,19-18-/t37-,38-,41-,42+,43+,44+,45-,46+,47+,48+,49+,50-/m1/s1
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| SMILES |
[C@](COP(O[C@H]1[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O[C@@H]1[C@@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O1)(=O)O)([H])(OC(CCCCCCC/C=C\C/C=C\CCC)=O)COC(CCCCCCC/C=C\CCCCCCCCC)=O
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| Status | Active (generated by computational methods) | |||||||||||||||||||||||||||
| Species | Mycobacterium tuberculosis | |||||||||||||||||||||||||||
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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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