In-Silico Structure Database (LMISSD)

Common Name
PIP3[3',4',5'](17:1(9Z)/39:0)
Systematic Name
1-(9Z-heptadecenoyl)-2-nonatriacontanoyl-sn-glycero-3-phosphoinositol-3,4,5-trisphosphate
LM ID
LMGP09019A38
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1384.784782
Formula
C65H128O22P4
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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)
DHARQZGXETZJHC-APLRTYHCSA-N
InChi (Click to copy)
InChI=1S/C65H128O22P4/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-42-44-46-48-50-52-54-59(67)83-57(55-81-58(66)53-51-49-47-45-43-41-18-16-14-12-10-8-6-4-2)56-82-91(79,80)87-62-60(68)63(84-88(70,71)72)65(86-90(76,77)78)64(61(62)69)85-89(73,74)75/h16,18,57,60-65,68-69H,3-15,17,19-56H2,1-2H3,(H,79,80)(H2,70,71,72)(H2,73,74,75)(H2,76,77,78)/b18-16-/t57-,60?,61?,62-,63+,64?,65?/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=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