In-Silico Structure Database (LMISSD)
Common Name
PIP2[4',5'](14:1(9Z)/23:0)
Systematic Name
1-(9Z-tetradecenoyl)-2-tricosanoyl-sn-glycero-3-phosphoinositol-4,5-bisphosphate
LM ID
LMGP08019K97
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)
PWQJHBDGDMGQIT-WTOJFBTLSA-N
InChi (Click to copy)
InChI=1S/C46H89O19P3/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-25-27-29-31-33-35-40(48)62-38(36-60-39(47)34-32-30-28-26-24-14-12-10-8-6-4-2)37-61-68(58,59)65-44-41(49)42(50)45(63-66(52,53)54)46(43(44)51)64-67(55,56)57/h10,12,38,41-46,49-51H,3-9,11,13-37H2,1-2H3,(H,58,59)(H2,52,53,54)(H2,55,56,57)/b12-10-/t38-,41?,42+,43?,44-,45?,46?/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1O)COC(CCCCCCC/C=C\CCCC)=O