ISODESMOSINE

PubChem Notes:

Isodesmosine 2-(4-Amino-4-carboxybutyl)-1-(5-amino-5-carboxypentyl)-3,5-bis(3-amino-3-carboxypropyl)pyridinium. A rare amino acid found in elastin, formed by condensation of four molecules of lysine into a pyridinium ring.

Molecular Formula: C24H40N5O8+


InChI: InChI=1/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/fC24H40N5O8/h30,32,34,36H/q+1

InChIKey: InChIKey=RGXCTRIQQODGIZ-WBQOLLIVCJ
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

Names:
    ISODESMOSINE
    Pyridinium, 2-(4-amino-4-carboxybutyl)-1-(5-amino-5-carboxypentyl)-3,5-bis(3-amino-3-carboxypropyl)-
    2-amino-6-[6-(4-amino-4-carboxy-butyl)-3,5-bis(3-amino-3-carboxy-propyl)pyridin-1-yl]hexanoic acid
    991-01-5

Registries:
    PubChem CID 13811
    PubChem ID 157139