phosphatidyl (3,5) inositol bisphosphate   Click here for help

GtoPdb Ligand ID: 2794

Synonyms: phosphatidylinositol 3,5-bisphosphate | PI(3,5)P2
Compound class: Metabolite
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 19
Hydrogen bond donors 8
Rotatable bonds 42
Topological polar surface area 332
Molecular weight 970.46
XLogP 8.2
No. Lipinski's rules broken 4
SMILES / InChI / InChIKey
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Canonical SMILES CCCCCCCCCCCCCCCC(=O)OCC(OC(=O)CCCCCCCCCCCCCCC)COP(=O)(OC1C(O)C(OP(=O)(O)O)C(C(C1O)OP(=O)(O)O)O)O
Isomeric SMILES CCCCCCCCCCCCCCCC(=O)OC[C@@H](OC(=O)CCCCCCCCCCCCCCC)COP(=O)(OC1[C@H](O)[C@H](OP(=O)(O)O)C([C@@H]([C@H]1O)OP(=O)(O)O)O)O
InChI InChI=1S/C41H81O19P3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(42)55-31-33(57-35(43)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)32-56-63(53,54)60-41-37(45)39(58-61(47,48)49)36(44)40(38(41)46)59-62(50,51)52/h33,36-41,44-46H,3-32H2,1-2H3,(H,53,54)(H2,47,48,49)(H2,50,51,52)/t33-,36?,37-,38-,39-,40+,41?/m1/s1
InChI Key UZMPYXSDDZXMAI-OHKKONBVSA-N
References
1. Cang C, Bekele B, Ren D. (2014)
The voltage-gated sodium channel TPC1 confers endolysosomal excitability.
Nat Chem Biol, 10 (6): 463-9. [PMID:24776928]
2. Dong XP, Shen D, Wang X, Dawson T, Li X, Zhang Q, Cheng X, Zhang Y, Weisman LS, Delling M et al.. (2010)
PI(3,5)P(2) controls membrane trafficking by direct activation of mucolipin Ca(2+) release channels in the endolysosome.
Nat Commun, 1: 38. [PMID:20802798]
3. Wang X, Zhang X, Dong XP, Samie M, Li X, Cheng X, Goschka A, Shen D, Zhou Y, Harlow J et al.. (2012)
TPC proteins are phosphoinositide- activated sodium-selective ion channels in endosomes and lysosomes.
Cell, 151 (2): 372-83. [PMID:23063126]