Structure database (LMSD)Return to Databases Overview
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| LM ID | LMGP15010037 | |||||||||||||||||||||||||||
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| Common Name | PIM1(19:0/18:1(9Z)) | |||||||||||||||||||||||||||
| Systematic Name | 2'-O-(α-D-Manp)-(1-nonadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-1'- myo-inositol) | |||||||||||||||||||||||||||
| Synonyms | PIM1(37:1); PIM1(18:1_19:0) | |||||||||||||||||||||||||||
| Exact Mass | ||||||||||||||||||||||||||||
| Formula | C52H97O18P | |||||||||||||||||||||||||||
| Category | Glycerophospholipids [GP] | |||||||||||||||||||||||||||
| Main Class | Glycerophosphoinositolglycans [GP15] | |||||||||||||||||||||||||||
| Sub Class | Diacylglycerophosphoinositolglycans [GP1501] | |||||||||||||||||||||||||||
| Abbrev | PIM1 37:1 | |||||||||||||||||||||||||||
| Abbrev Chains | PIM1 18:1_19:0 | |||||||||||||||||||||||||||
| PubChem CID | 126457405 | |||||||||||||||||||||||||||
| InChIKey | WQQYVLNYMRVISY-STGTUBPHSA-N Show lipids differing only in stereochemistry/bond geometry | |||||||||||||||||||||||||||
| InChI |
InChI=1S/C52H97O18P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-41(54)65-37-39(67-42(55)35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2)38-66-71(63,64)70-51-48(61)46(59)45(58)47(60)50(51)69-52-49(62)44(57)43(56)40(36-53)68-52/h18,20,39-40,43-53,56-62H,3-17,19,21-38H2,1-2H3,(H,63,64)/b20-18-/t39-,40-,43-,44+,45+,46+,47-,48+,49+,50+,51+,52-/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\CCCCCCCC)=O)COC(CCCCCCCCCCCCCCCCCC)=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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