In-Silico Structure Database (LMISSD)
Common Name
PIP[3'](22:1(13Z)/17:0)
Systematic Name
1-(13Z-docosenoyl)-2-heptadecanoyl-sn-glycero-3-phosphoinositol-3-phosphate
LM ID
LMGP07019DOS
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
986.586066
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol monophosphates [GP07]
Diacylglycerophosphoinositol monophosphates [GP0701]
String Representations
InChiKey (Click to copy)
ITICXOVCJIRDFT-MFZZMICESA-N
InChi (Click to copy)
InChI=1S/C48H92O16P2/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-25-26-28-30-32-34-36-41(49)60-38-40(62-42(50)37-35-33-31-29-27-24-18-16-14-12-10-8-6-4-2)39-61-66(58,59)64-48-45(53)43(51)44(52)47(46(48)54)63-65(55,56)57/h17,19,40,43-48,51-54H,3-16,18,20-39H2,1-2H3,(H,58,59)(H2,55,56,57)/b19-17-/t40-,43?,44?,45?,46?,47-,48+/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(O)C(O)C1O)COC(CCCCCCCCCCC/C=C\CCCCCCCC)=O