In-Silico Structure database (LMISSD)
| |
LM ID | LMGP08019GFN |
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Common Name | PIP2[3',5'](17:2(9Z,12Z)/11:0) |
Systematic Name | 1-(9Z,12Z-heptadecadienoyl)-2-undecanoyl-sn-glycero-3-phosphoinositol-3,5- bisphosphate |
Synonyms | PIP2[3',5'](28:2); PIP2(11:0_17:2) |
Exact Mass | |
Formula | C37H69O19P3 |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoinositol bisphosphates [GP08] |
Sub Class | Diacylglycerophosphoinositol bisphosphates [GP0801] |
PubChem Compound ID (CID) | - |
InChIKey | LOFXBDZNDJOQPN-GCJRWAKUSA-N |
InChI | InChI=1S/C37H69O19P3/c1-3-5-7-9-11-13-14-15-16-17-18-20-21-23-25-30(38)51-27-29( 53-31(39)26-24-22-19-12-10-8-6-4-2)28-52-59(49,50)56-37-33(41)35(54-57(43,44)45) 32(40)36(34(37)42)55-58(46,47)48/h9,11,14-15,29,32-37,40-42H,3-8,10,12-13,16-28H 2,1-2H3,(H,49,50)(H2,43,44,45)(H2,46,47,48)/b11-9-,15-14-/t29-,32?,33?,34?,35-,3 6?,37-/m1/s1 |
SMILES | [C@]([H])(OC(CCCCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](OP(O)(=O)O)C(O)C(OP(=O)( O)O)C1O)COC(CCCCCCC/C=C\C/C=C\CCCC)=O |
MS Spectra | - |
Status | Active (generated by computational methods) |