In-Silico Structure Database (LMISSD)
Common Name
PIP[3'](14:0/36:0)
Systematic Name
1-tetradecanoyl-2-hexatriacontanoyl-sn-glycero-3-phosphoinositol-3-phosphate
LM ID
LMGP07019ALP
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1142.773866
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol monophosphates [GP07]
Diacylglycerophosphoinositol monophosphates [GP0701]
String Representations
InChiKey (Click to copy)
KBMHJANLUKNBDT-RRYARDBQSA-N
InChi (Click to copy)
InChI=1S/C59H116O16P2/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-38-40-42-44-46-48-53(61)73-51(49-71-52(60)47-45-43-41-39-37-14-12-10-8-6-4-2)50-72-77(69,70)75-59-56(64)54(62)55(63)58(57(59)65)74-76(66,67)68/h51,54-59,62-65H,3-50H2,1-2H3,(H,69,70)(H2,66,67,68)/t51-,54?,55?,56?,57?,58-,59+/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](OP(O)(=O)O)C(O)C(O)C1O)COC(CCCCCCCCCCCCC)=O