In-Silico Structure database (LMISSD)
| |
LM ID | LMGP08019FSO |
---|---|
Common Name | PIP2[3',5'](13:0/14:0) |
Systematic Name | 1-tridecanoyl-2-tetradecanoyl-sn-glycero-3-phosphoinositol-3,5-bisphosphate |
Synonyms | PIP2[3',5'](27:0); PIP2(13:0_14:0) |
Exact Mass | |
Formula | C36H71O19P3 |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoinositol bisphosphates [GP08] |
Sub Class | Diacylglycerophosphoinositol bisphosphates [GP0801] |
PubChem Compound ID (CID) | - |
InChIKey | QYVNDVYHNHYSRC-BKUMGPMXSA-N |
InChI | InChI=1S/C36H71O19P3/c1-3-5-7-9-11-13-15-17-19-21-23-25-30(38)52-28(26-50-29(37) 24-22-20-18-16-14-12-10-8-6-4-2)27-51-58(48,49)55-36-32(40)34(53-56(42,43)44)31( 39)35(33(36)41)54-57(45,46)47/h28,31-36,39-41H,3-27H2,1-2H3,(H,48,49)(H2,42,43,4 4)(H2,45,46,47)/t28-,31?,32?,33?,34-,35?,36-/m1/s1 |
SMILES | [C@]([H])(OC(CCCCCCCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](OP(O)(=O)O)C(O)C(OP(= O)(O)O)C1O)COC(CCCCCCCCCCCC)=O |
MS Spectra | - |
Status | Active (generated by computational methods) |