In-Silico Structure database (LMISSD)
| |
LM ID | LMGP08039BFT |
---|---|
Common Name | PIP2[3',5'](P-20:0/11:0) |
Systematic Name | 1-(1Z-eicosenyl)-2-undecanoyl-sn-glycero-3-phosphoinositol-3,5-bisphosphate |
Synonyms | PIP2[3',5'](P-31:0); PIP2(P-20:0_11:0) |
Exact Mass | |
Formula | C40H79O18P3 |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoinositol bisphosphates [GP08] |
Sub Class | 1-(1Z-alkenyl),2-acylglycerophosphoinositol bisphosphates [GP0803] |
PubChem Compound ID (CID) | - |
InChIKey | DBBRDACHFGHWJA-DJAKUSPLSA-N |
InChI | InChI=1S/C40H79O18P3/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-24-26-28-30-53- 31-33(55-34(41)29-27-25-23-12-10-8-6-4-2)32-54-61(51,52)58-40-36(43)38(56-59(45, 46)47)35(42)39(37(40)44)57-60(48,49)50/h28,30,33,35-40,42-44H,3-27,29,31-32H2,1- 2H3,(H,51,52)(H2,45,46,47)(H2,48,49,50)/b30-28-/t33-,35?,36?,37?,38-,39?,40-/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)CO/C=C\CCCCCCCCCCCCCCCCCC |
MS Spectra | - |
Status | Active (generated by computational methods) |