In-Silico Structure database (LMISSD)
| |
LM ID | LMGP08019BTM |
---|---|
Common Name | PIP2[3',4'](18:2(2E,4E)/10:0) |
Systematic Name | 1-(2E,4E-octadecadienoyl)-2-decanoyl-sn-glycero-3-phosphoinositol-3,4- bisphosphate |
Synonyms | PIP2[3',4'](28:2); PIP2(10:0_18:2) |
Exact Mass | |
Formula | C37H69O19P3 |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoinositol bisphosphates [GP08] |
Sub Class | Diacylglycerophosphoinositol bisphosphates [GP0801] |
PubChem Compound ID (CID) | - |
InChIKey | GBERFVBQRDFRRP-GEJXMLBRSA-N |
InChI | InChI=1S/C37H69O19P3/c1-3-5-7-9-11-12-13-14-15-16-17-18-20-21-23-25-30(38)51-27- 29(53-31(39)26-24-22-19-10-8-6-4-2)28-52-59(49,50)56-35-32(40)33(41)36(54-57(43, 44)45)37(34(35)42)55-58(46,47)48/h20-21,23,25,29,32-37,40-42H,3-19,22,24,26-28H2 ,1-2H3,(H,49,50)(H2,43,44,45)(H2,46,47,48)/b21-20+,25-23+/t29-,32?,33?,34?,35+,3 6?,37+/m1/s1 |
SMILES | [C@]([H])(OC(CCCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](OP(O)(=O)O)C(OP(=O)(O)O)C (O)C1O)COC(/C=C/C=C/CCCCCCCCCCCCC)=O |
MS Spectra | - |
Status | Active (generated by computational methods) |