In-Silico Structure Database (LMISSD)
Common Name
PIP2[4',5'](O-20:1(9Z)/18:1(11Z))
Systematic Name
1-(9Z-eicosenyl)-2-(11Z-octadecenoyl)-sn-glycero-3-phosphoinositol-4,5-bisphosphate
LM ID
LMGP08029CSN
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1036.541834
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol bisphosphates [GP08]
1-alkyl,2-acylglycerophosphoinositol bisphosphates [GP0802]
String Representations
InChiKey (Click to copy)
RGUIMTCPZOFJAY-BSXAXQNUSA-N
InChi (Click to copy)
InChI=1S/C47H91O18P3/c1-3-5-7-9-11-13-15-17-19-20-21-23-25-27-29-31-33-35-37-60-38-40(62-41(48)36-34-32-30-28-26-24-22-18-16-14-12-10-8-6-4-2)39-61-68(58,59)65-45-42(49)43(50)46(63-66(52,53)54)47(44(45)51)64-67(55,56)57/h14,16,20-21,40,42-47,49-51H,3-13,15,17-19,22-39H2,1-2H3,(H,58,59)(H2,52,53,54)(H2,55,56,57)/b16-14-,21-20-/t40-,42?,43+,44?,45-,46?,47?/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCCCC/C=C\CCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1O)COCCCCCCCC/C=C\CCCCCCCCCC