In-Silico Structure database (LMISSD)
| |
LM ID | LMGP08019LJ4 |
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Common Name | PIP2[4',5'](16:1(9Z)/12:0) |
Systematic Name | 1-(9Z-hexadecenoyl)-2-dodecanoyl-sn-glycero-3-phosphoinositol-4,5-bisphosphate |
Synonyms | PIP2[4',5'](28:1); PIP2(12:0_16:1) |
Exact Mass | |
Formula | C37H71O19P3 |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoinositol bisphosphates [GP08] |
Sub Class | Diacylglycerophosphoinositol bisphosphates [GP0801] |
PubChem Compound ID (CID) | - |
InChIKey | OWDKCLRVXSWDNH-CXVXXOENSA-N |
InChI | InChI=1S/C37H71O19P3/c1-3-5-7-9-11-13-14-15-16-18-19-21-23-25-30(38)51-27-29(53- 31(39)26-24-22-20-17-12-10-8-6-4-2)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/h13-14,29,32-37,40-42H,3-12,15-28H2,1-2H3,(H,49 ,50)(H2,43,44,45)(H2,46,47,48)/b14-13-/t29-,32?,33+,34?,35-,36?,37?/m1/s1 |
SMILES | [C@]([H])(OC(CCCCCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(OP(=O)(O)O)C(OP(=O) (O)O)C1O)COC(CCCCCCC/C=C\CCCCCC)=O |
MS Spectra | - |
Status | Active (generated by computational methods) |