In-Silico Structure Database (LMISSD)

Common Name
PIP3[3',4',5'](17:1(9Z)/38:0)
Systematic Name
1-(9Z-heptadecenoyl)-2-octatriacontanoyl-sn-glycero-3-phosphoinositol-3,4,5-trisphosphate
LM ID
LMGP09019A37
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1370.769132
Formula
C64H126O22P4
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MDLMOL SDF CSV TSV PNG
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol trisphosphates [GP09]
Diacylglycerophosphoinositol trisphosphates [GP0901]

String Representations

InChiKey (Click to copy)
QHYOOPJDZLMOMP-MXIIQITISA-N
InChi (Click to copy)
InChI=1S/C64H126O22P4/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-41-43-45-47-49-51-53-58(66)82-56(54-80-57(65)52-50-48-46-44-42-40-18-16-14-12-10-8-6-4-2)55-81-90(78,79)86-61-59(67)62(83-87(69,70)71)64(85-89(75,76)77)63(60(61)68)84-88(72,73)74/h16,18,56,59-64,67-68H,3-15,17,19-55H2,1-2H3,(H,78,79)(H2,69,70,71)(H2,72,73,74)(H2,75,76,77)/b18-16-/t56-,59?,60?,61-,62+,63?,64?/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](OP(O)(=O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1O)COC(CCCCCCC/C=C\CCCCCCC)=O

References

Other Databases