In-Silico Structure Database (LMISSD)
Common Name
PIP2[3',5'](21:0/12:0)
Systematic Name
1-heneicosanoyl-2-dodecanoyl-sn-glycero-3-phosphoinositol-3,5-bisphosphate
LM ID
LMGP08019IVA
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
984.474149
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol bisphosphates [GP08]
Diacylglycerophosphoinositol bisphosphates [GP0801]
String Representations
InChiKey (Click to copy)
HSGPCWZAQNUBJR-DETFYLJVSA-N
InChi (Click to copy)
InChI=1S/C42H83O19P3/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-23-24-26-28-30-35(43)56-32-34(58-36(44)31-29-27-25-22-12-10-8-6-4-2)33-57-64(54,55)61-42-38(46)40(59-62(48,49)50)37(45)41(39(42)47)60-63(51,52)53/h34,37-42,45-47H,3-33H2,1-2H3,(H,54,55)(H2,48,49,50)(H2,51,52,53)/t34-,37?,38?,39?,40-,41?,42-/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](OP(O)(=O)O)C(O)C(OP(=O)(O)O)C1O)COC(CCCCCCCCCCCCCCCCCCCC)=O