In-Silico Structure Database (LMISSD)
Common Name
LPIP[3'](33:0/0:0)
Systematic Name
1-tritriacontanoyl-sn-glycero-3-phosphoinositol-3-phosphate
LM ID
LMGP07059ACE
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
890.528551
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol monophosphates [GP07]
Monoacylglycerophosphoinositol monophosphates [GP0705]
String Representations
InChiKey (Click to copy)
PPNRCACBJBGITP-PIBLEHABSA-N
InChi (Click to copy)
InChI=1S/C42H84O15P2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-36(44)54-33-35(43)34-55-59(52,53)57-42-39(47)37(45)38(46)41(40(42)48)56-58(49,50)51/h35,37-43,45-48H,2-34H2,1H3,(H,52,53)(H2,49,50,51)/t35-,37?,38?,39?,40?,41-,42+/m1/s1
SMILES (Click to copy)
[C@]([H])(O)(COP(=O)(O)O[C@@H]1C(O)[C@H](OP(O)(=O)O)C(O)C(O)C1O)COC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O