In-Silico Structure database (LMISSD)
| |
LM ID | LMGP08039AAB |
---|---|
Common Name | PIP2[3',4'](P-16:0/11:0) |
Systematic Name | 1-(1Z-hexadecenyl)-2-undecanoyl-sn-glycero-3-phosphoinositol-3,4-bisphosphate |
Synonyms | PIP2[3',4'](P-27:0); PIP2(P-16:0_11:0) |
Exact Mass | |
Formula | C36H71O18P3 |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoinositol bisphosphates [GP08] |
Sub Class | 1-(1Z-alkenyl),2-acylglycerophosphoinositol bisphosphates [GP0803] |
PubChem Compound ID (CID) | - |
InChIKey | GDAQFMLMWMWYIG-KJJCPGGSSA-N |
InChI | InChI=1S/C36H71O18P3/c1-3-5-7-9-11-13-14-15-16-17-18-20-22-24-26-49-27-29(51-30( 37)25-23-21-19-12-10-8-6-4-2)28-50-57(47,48)54-34-31(38)32(39)35(52-55(41,42)43) 36(33(34)40)53-56(44,45)46/h24,26,29,31-36,38-40H,3-23,25,27-28H2,1-2H3,(H,47,48 )(H2,41,42,43)(H2,44,45,46)/b26-24-/t29-,31?,32?,33?,34+,35?,36+/m1/s1 |
SMILES | [C@]([H])(OC(CCCCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](OP(O)(=O)O)C(OP(=O)(O)O) C(O)C1O)CO/C=C\CCCCCCCCCCCCCC |
MS Spectra | - |
Status | Active (generated by computational methods) |