Isodesmosine

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 18
Total Number of Articles : 98
PubChem 13811
Molecular Formula

C24H40N5O8+

SMILES

C1=C(C=[N+](C(=C1CCC(C(=O)O)N)CCCC(C(=O)O)N)CCCCC(C(=O)O)N)CCC(C(=O)O)N

InChI

InChI=1S/C24H39N5O8/c25-16(21(30)31)4-1-2-11-29-13-14(7-9-18(27)23(34)35)12-15(8-10-19(28)24(36)37)20(29)6-3-5-17(26)22(32)33/h12-13,16-19H,1-11,25-28H2,(H3-,30,31,32,33,34,35,36,37)/p+1

synonyms
  • ISODESMOSINE
  • 991-01-5
  • 2-amino-6-[3,5-bis(3-amino-4-hydroxy-4-oxobutyl)-2-(4-amino-5-hydroxy-5-oxopentyl)pyridin-1-ium-1-yl]hexanoic acid
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Properties
Property Value
MW 526.6 g/mol
HBD 8
HBA 12
Rotatable Bond Count 19
Exact Mass 526.28768825 g/mol
Monoisotopic Mass 526.28768825 g/mol
Heavy Atom Count 37
Isotope Atom Count 0
Atom Stereo Count 4
Covalent Unit Count 1
Complexity 755
xlogp -10.1
Topological Polar Surface Area 257