In-Silico Structure Database (LMISSD)
Common Name
PIP[3'](22:4(7Z,10Z,13Z,16Z)/13:0)
Systematic Name
1-(7Z,10Z,13Z,16Z-docosatetraenoyl)-2-tridecanoyl-sn-glycero-3-phosphoinositol-3-phosphate
LM ID
LMGP07019DS6
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
924.476516
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol monophosphates [GP07]
Diacylglycerophosphoinositol monophosphates [GP0701]
String Representations
InChiKey (Click to copy)
CPPCCSJBBLWEQC-NBMNQXFKSA-N
InChi (Click to copy)
InChI=1S/C44H78O16P2/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)40(48)43(42(44)50)59-61(51,52)53/h11,13,16-17,19-20,22-23,36,39-44,47-50H,3-10,12,14-15,18,21,24-35H2,1-2H3,(H,54,55)(H2,51,52,53)/b13-11-,17-16-,20-19-,23-22-/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](OP(O)(=O)O)C(O)C(O)C1O)COC(CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)=O