In-Silico Structure database (LMISSD)
| |
LM ID | LMGP08019LQZ |
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Common Name | PIP2[4',5'](17:2(9Z,12Z)/10:0) |
Systematic Name | 1-(9Z,12Z-heptadecadienoyl)-2-decanoyl-sn-glycero-3-phosphoinositol-4,5- bisphosphate |
Synonyms | PIP2[4',5'](27:2); PIP2(10:0_17:2) |
Exact Mass | |
Formula | C36H67O19P3 |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoinositol bisphosphates [GP08] |
Sub Class | Diacylglycerophosphoinositol bisphosphates [GP0801] |
PubChem Compound ID (CID) | - |
InChIKey | CRDLOCDDDNVOKF-XBCBIFBCSA-N |
InChI | InChI=1S/C36H67O19P3/c1-3-5-7-9-11-12-13-14-15-16-17-19-20-22-24-29(37)50-26-28( 52-30(38)25-23-21-18-10-8-6-4-2)27-51-58(48,49)55-34-31(39)32(40)35(53-56(42,43) 44)36(33(34)41)54-57(45,46)47/h9,11,13-14,28,31-36,39-41H,3-8,10,12,15-27H2,1-2H 3,(H,48,49)(H2,42,43,44)(H2,45,46,47)/b11-9-,14-13-/t28-,31?,32+,33?,34-,35?,36? /m1/s1 |
SMILES | [C@]([H])(OC(CCCCCCCCC)=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\C/C=C\CCCC)=O |
MS Spectra | - |
Status | Active (generated by computational methods) |