Allodesmosine

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 1
Total Number of Articles : 1
PubChem 101601848
Molecular Formula

C30H51N6O10+

SMILES

C1=C(C(=C(C=[N+]1CCCCC(C(=O)O)N)CCC(C(=O)O)N)C(CCCCC(C(=O)O)N)CCC(C(=O)O)N)CCC(C(=O)O)N

InChI

InChI=1S/C30H50N6O10/c31-20(26(37)38)6-2-1-5-17(8-11-22(33)28(41)42)25-18(9-12-23(34)29(43)44)15-36(14-4-3-7-21(32)27(39)40)16-19(25)10-13-24(35)30(45)46/h15-17,20-24H,1-14,31-35H2,(H4-,37,38,39,40,41,42,43,44,45,46)/p+1

synonyms
  • 129717-82-4
  • Pyridinium, 4-[5-amino-1-(3-amino-3-carboxypropyl)-5-carboxypentyl]-1-(5-amino-5-carboxypentyl)-3,5-bis(3-amino-3-carboxypropyl)-
  • Pyridinium, 4-(5-amino-1-(3-amino-3-carboxypropyl)-5-carboxypentyl)-1-(5-amino-5-carboxypentyl)-3,5-bis(3-amino-3-carboxypropyl)-
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Properties
Property Value
MW 655.8 g/mol
HBD 10
HBA 15
Rotatable Bond Count 25
Exact Mass 655.36666684 g/mol
Monoisotopic Mass 655.36666684 g/mol
Heavy Atom Count 46
Isotope Atom Count 0
Atom Stereo Count 6
Covalent Unit Count 1
Complexity 954
xlogp -12.2
Topological Polar Surface Area 320