In-Silico Structure Database (LMISSD)

Common Name
PIP3[3',4',5'](20:1(13E)/38:0)
Systematic Name
1-(13E-eicosenoyl)-2-octatriacontanoyl-sn-glycero-3-phosphoinositol-3,4,5-trisphosphate
LM ID
LMGP09019CR5
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1412.816082
Formula
C67H132O22P4
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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)
BAXMMGLKRXGYHH-CSJSTQPHSA-N
InChi (Click to copy)
InChI=1S/C67H132O22P4/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-40-42-44-46-48-50-52-54-56-61(69)85-59(57-83-60(68)55-53-51-49-47-45-43-41-39-20-18-16-14-12-10-8-6-4-2)58-84-93(81,82)89-64-62(70)65(86-90(72,73)74)67(88-92(78,79)80)66(63(64)71)87-91(75,76)77/h14,16,59,62-67,70-71H,3-13,15,17-58H2,1-2H3,(H,81,82)(H2,72,73,74)(H2,75,76,77)(H2,78,79,80)/b16-14+/t59-,62?,63?,64-,65+,66?,67?/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(CCCCCCCCCCC/C=C/CCCCCC)=O

References

Other Databases