In-Silico Structure Database (LMISSD)
Common Name
PIP2[3',5'](20:0/17:1(9Z))
Systematic Name
1-eicosanoyl-2-(9Z-heptadecenoyl)-sn-glycero-3-phosphoinositol-3,5-bisphosphate
LM ID
LMGP08019HUO
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1038.521099
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol bisphosphates [GP08]
Diacylglycerophosphoinositol bisphosphates [GP0801]
String Representations
InChiKey (Click to copy)
IQRXHUXVJKNMKA-BZXDWFMOSA-N
InChi (Click to copy)
InChI=1S/C46H89O19P3/c1-3-5-7-9-11-13-15-17-19-20-21-23-24-26-28-30-32-34-39(47)60-36-38(62-40(48)35-33-31-29-27-25-22-18-16-14-12-10-8-6-4-2)37-61-68(58,59)65-46-42(50)44(63-66(52,53)54)41(49)45(43(46)51)64-67(55,56)57/h16,18,38,41-46,49-51H,3-15,17,19-37H2,1-2H3,(H,58,59)(H2,52,53,54)(H2,55,56,57)/b18-16-/t38-,41?,42?,43?,44-,45?,46-/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCC/C=C\CCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](OP(O)(=O)O)C(O)C(OP(=O)(O)O)C1O)COC(CCCCCCCCCCCCCCCCCCC)=O