In-Silico Structure Database (LMISSD)
Common Name
PIP[4'](22:2(13Z,16Z)/13:0)
Systematic Name
1-(13Z,16Z-docosadienoyl)-2-tridecanoyl-sn-glycero-3-phosphoinositol-4-phosphate
LM ID
LMGP07019I18
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
928.507816
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol monophosphates [GP07]
Diacylglycerophosphoinositol monophosphates [GP0701]
String Representations
InChiKey (Click to copy)
XCLCMLHGZIJXFA-HJDMNFGGSA-N
InChi (Click to copy)
InChI=1S/C44H82O16P2/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-25-26-28-30-32-37(45)56-34-36(58-38(46)33-31-29-27-24-14-12-10-8-6-4-2)35-57-62(54,55)60-44-41(49)39(47)43(40(48)42(44)50)59-61(51,52)53/h11,13,16-17,36,39-44,47-50H,3-10,12,14-15,18-35H2,1-2H3,(H,54,55)(H2,51,52,53)/b13-11-,17-16-/t36-,39+,40?,41?,42?,43?,44-/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(OP(=O)(O)O)C(O)C1O)COC(CCCCCCCCCCC/C=C\C/C=C\CCCCC)=O