In-Silico Structure Database (LMISSD)

P OH O OH O O O H O O O P HO O O HO HO OH O O P OH OH
Common Name
PIP2[3',4'](10:0/20:2(5Z,8Z))
Systematic Name
1-decanoyl-2-(5Z,8Z-eicosadienoyl)-sn-glycero-3-phosphoinositol-3,4-bisphosphate
LM ID
LMGP08019ABF
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
938.395899
Formula
C39H73O19P3
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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 bisphosphates [GP08]
Diacylglycerophosphoinositol bisphosphates [GP0801]

String Representations

InChiKey (Click to copy)
JLBIUSUAKRIGJQ-FPHQHYKISA-N
InChi (Click to copy)
InChI=1S/C39H73O19P3/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-22-24-26-28-33(41)55-31(29-53-32(40)27-25-23-21-10-8-6-4-2)30-54-61(51,52)58-37-34(42)35(43)38(56-59(45,46)47)39(36(37)44)57-60(48,49)50/h17-18,20,22,31,34-39,42-44H,3-16,19,21,23-30H2,1-2H3,(H,51,52)(H2,45,46,47)(H2,48,49,50)/b18-17-,22-20-/t31-,34?,35?,36?,37+,38?,39+/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCC/C=C\C/C=C\CCCCCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](OP(O)(=O)O)C(OP(=O)(O)O)C(O)C1O)COC(CCCCCCCCC)=O

References

Other Databases