In-Silico Structure Database (LMISSD)
Common Name
PIP2[3',4'](16:1(7Z)/17:0)
Systematic Name
1-(7Z-hexadecenoyl)-2-heptadecanoyl-sn-glycero-3-phosphoinositol-3,4-bisphosphate
LM ID
LMGP08019AVC
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)
SLJTZQGCCVDSKS-HGQOCTMCSA-N
InChi (Click to copy)
InChI=1S/C42H81O19P3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-36(44)58-34(32-56-35(43)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)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/h18,20,34,37-42,45-47H,3-17,19,21-33H2,1-2H3,(H,54,55)(H2,48,49,50)(H2,51,52,53)/b20-18-/t34-,37?,38?,39?,40+,41?,42+/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCCCCCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](OP(O)(=O)O)C(OP(=O)(O)O)C(O)C1O)COC(CCCCC/C=C\CCCCCCCC)=O