EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:64366 - isodesmosine

ChEBI IDCHEBI:64366
ChEBI Nameisodesmosine
Stars
DefinitionA pyridinium ion obtained by formal condensation of four molecules of lysine.
Last Modified23 October 2015
SubmitterSteve
DownloadsMolfile
FormulaC24H40N5O8
Net Charge+1
Average Mass526.611
Monoisotopic Mass526.28714
SMILESNC(CCCC[n+]1cc(CCC(N)C(=O)O)cc(CCC(N)C(=O)O)c1CCCC(N)C(=O)O)C(=O)O
InChIInChI=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
InChIKeyRGXCTRIQQODGIZ-UHFFFAOYSA-O
Wikipedia
Roles Classification
Application:
biomarker  A substance used as an indicator of a biological state.
ChEBI Ontology
Outgoing Relation(s)
isodesmosine (CHEBI:64366) has role biomarker (CHEBI:59163)
isodesmosine (CHEBI:64366) is a lysine derivative (CHEBI:53079)
isodesmosine (CHEBI:64366) is a pyridinium ion (CHEBI:50334)
IUPAC Name 
6-[2-(4-amino-4-carboxybutyl)-3,5-bis(3-amino-3-carboxypropyl)pyridinium-1-yl]norleucine
Synonyms  Source
2-(4-amino-4-carboxybutyl)-1-(5-amino-5-carboxypentyl)-3,5-bis(3-amino-3-carboxypropyl)pyridiniumChemIDplus
IdeChEBI
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 acidHMDB
Manual XrefsDatabases
HMDB0000739HMDB
IsodesmosineWikipedia
Registry NumbersSources
Reaxys:4074233Reaxys
CAS:991-01-5ChemIDplus
Citations