phosphatidylinositol 3-phosphate

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 388
Total Number of Articles : 555
PubChem 9776841
Molecular Formula

C46H82O16P2

SMILES

CCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@@H]1C([C@@H](C(C(C1O)O)O)OP(=O)(O)O)O)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC

InChI

InChI=1S/C46H82O16P2/c1-3-5-7-9-11-13-15-17-19-20-21-23-25-27-29-31-33-35-40(48)60-38(36-58-39(47)34-32-30-28-26-24-22-18-16-14-12-10-8-6-4-2)37-59-64(56,57)62-46-43(51)41(49)42(50)45(44(46)52)61-63(53,54)55/h11,13,17,19,21,23,27,29,38,41-46,49-52H,3-10,12,14-16,18,20,22,24-26,28,30-37H2,1-2H3,(H,56,57)(H2,53,54,55)/b13-11-,19-17-,23-21-,29-27-/t38-,41?,42?,43?,44?,45-,46+/m1/s1

synonyms
  • Phosphatidylinositol-3-phosphate
  • PIP[3'](17:0/20:4(5Z,8Z,11Z,14Z))
  • PIP[3'](17:0/20:4)
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Properties
Property Value
MW 953.1 g/mol
HBD 7
HBA 16
Rotatable Bond Count 41
Exact Mass 952.50781052 g/mol
Monoisotopic Mass 952.50781052 g/mol
Heavy Atom Count 64
Isotope Atom Count 0
Atom Stereo Count 7
Covalent Unit Count 1
Complexity 1430
xlogp 8.9
Topological Polar Surface Area 256