In-Silico Structure database (LMISSD)
| |
LM ID | LMGP08039ABM |
---|---|
Common Name | PIP2[3',4'](P-16:0/20:4(6E,8Z,11Z,14Z)) |
Systematic Name | 1-(1Z-hexadecenyl)-2-(6E,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3- phosphoinositol-3,4-bisphosphate |
Synonyms | PIP2[3',4'](P-36:4); PIP2(P-16:0_20:4) |
Exact Mass | |
Formula | C45H81O18P3 |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoinositol bisphosphates [GP08] |
Sub Class | 1-(1Z-alkenyl),2-acylglycerophosphoinositol bisphosphates [GP0803] |
PubChem Compound ID (CID) | - |
InChIKey | RTVIMTOQBJZDGO-DONPWSFMSA-N |
InChI | InChI=1S/C45H81O18P3/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-39(46) 60-38(36-58-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2)37-59-66(56,57)63-43-40( 47)41(48)44(61-64(50,51)52)45(42(43)49)62-65(53,54)55/h11,13,17,19,21-22,24,26,3 3,35,38,40-45,47-49H,3-10,12,14-16,18,20,23,25,27-32,34,36-37H2,1-2H3,(H,56,57)( H2,50,51,52)(H2,53,54,55)/b13-11-,19-17-,22-21-,26-24+,35-33-/t38-,40?,41?,42?,4 3+,44?,45+/m1/s1 |
SMILES | [C@]([H])(OC(CCCC/C=C/C=C\C/C=C\C/C=C\CCCCC)=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) |