In-Silico Structure database (LMISSD)
| |
LM ID | LMGP08039B0M |
---|---|
Common Name | PIP2[4',5'](P-18:0/13:0) |
Systematic Name | 1-(1Z-octadecenyl)-2-tridecanoyl-sn-glycero-3-phosphoinositol-4,5-bisphosphate |
Synonyms | PIP2[4',5'](P-31:0); PIP2(P-18:0_13:0) |
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 | KSKKOTAKBNRZKR-WRLVHXQUSA-N |
InChI | InChI=1S/C40H79O18P3/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-30-53-31-33( 55-34(41)29-27-25-23-21-14-12-10-8-6-4-2)32-54-61(51,52)58-38-35(42)36(43)39(56- 59(45,46)47)40(37(38)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(CCCCCCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(OP(=O)(O)O)C(OP(=O )(O)O)C1O)CO/C=C\CCCCCCCCCCCCCCCC |
MS Spectra | - |
Status | Active (generated by computational methods) |