In-Silico Structure Database (LMISSD)
Common Name
PIP2[3',4'](17:1(9Z)/16:0)
Systematic Name
1-(9Z-heptadecenoyl)-2-hexadecanoyl-sn-glycero-3-phosphoinositol-3,4-bisphosphate
LM ID
LMGP08019A16
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
982.458499
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol bisphosphates [GP08]
Diacylglycerophosphoinositol bisphosphates [GP0801]
String Representations
InChiKey (Click to copy)
FTHSJZMEMFKHNO-LLUXPLMYSA-N
InChi (Click to copy)
InChI=1S/C42H81O19P3/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-35(43)56-32-34(58-36(44)31-29-27-25-23-21-18-16-14-12-10-8-6-4-2)33-57-64(54,55)61-40-37(45)38(46)41(59-62(48,49)50)42(39(40)47)60-63(51,52)53/h15,17,34,37-42,45-47H,3-14,16,18-33H2,1-2H3,(H,54,55)(H2,48,49,50)(H2,51,52,53)/b17-15-/t34-,37?,38?,39?,40+,41?,42+/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCCCCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](OP(O)(=O)O)C(OP(=O)(O)O)C(O)C1O)COC(CCCCCCC/C=C\CCCCCCC)=O