Chem
J-GLOBAL ID：200907072580268464   Nikkaji number：J13.419H

Desmosine

デスモシン
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C24H40N4[N+]O8
Molecular formula furigana： C24-H40-N5-O8
Molecular weight： 526.610
InChI： InChI=1S/C24H39N5O8/c25-17(21(30)31)5-1-2-11-29-12-14(7-9-19(27)23(34)35)16(4-3-6-18(26)22(32)33)15(13-29)8-10-20(28)24(36)37/h12-13,17-20H,1-11,25-28H2,(H3-,30,31,32,33,34,35,36,37)/p+1
InChI key： VEVRNHHLCPGNDU-UHFFFAOYSA-O
SMILES： NC(CCCC[n+]1cc(CCC(N)C(=O)O)c(CCCC(N)C(=O)O)c(CCC(N)C(=O)O)c1)C(=O)O
Systematic name  (3)：
  • 4-(4-アミノ-4-カルボキシブチル)-1-(5-アミノ-5-カルボキシペンチル)-3,5-ビス(3-アミノ-3-カルボキシプロピル)ピリジニウム
  • 3,5-ビス(3-アミノ-3-カルボキシプロピル)-4-(4-アミノ-4-カルボキシブチル)-1-(5-アミノ-5-カルボキシペンチル)ピリジン-1-イウム
  • 3,5-bis(3-amino-3-carboxypropyl)-4-(4-amino-4-carboxybutyl)-1-(5-amino-5-carboxypentyl)pyridin-1-ium
Other name (3)：
  • デスモシン
  • Desmosine
  • 4-(4-Amino-4-carboxybutyl)-1-(5-amino-5-carboxypentyl)-3,5-bis(3-amino-3-carboxypropyl)pyridinium
CAS registry number： 11003-57-9
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