CHEBI:64366 - isodesmosine

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ChEBI Name isodesmosine
ChEBI ID CHEBI:64366
Definition A pyridinium ion obtained by formal condensation of four molecules of lysine.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C24H40N5O8
Net Charge +1
Average Mass 526.60310
Monoisotopic Mass 526.288
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
InChIKey RGXCTRIQQODGIZ-UHFFFAOYSA-O
SMILES NC(CCCC[n+]1cc(CCC(N)C(O)=O)cc(CCC(N)C(O)=O)c1CCCC(N)C(O)=O)C(O)=O
Roles Classification
Application(s): biomarker
A substance used as an indicator of a biological state.
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ChEBI Ontology
Outgoing 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 Sources
2-(4-amino-4-carboxybutyl)-1-(5-amino-5-carboxypentyl)-3,5-bis(3-amino-3-carboxypropyl)pyridinium ChemIDplus
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 HMDB
Ide ChEBI
Manual Xrefs Databases
HMDB0000739 HMDB
Isodesmosine Wikipedia
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Registry Numbers Types Sources
4074233 Reaxys Registry Number Reaxys
991-01-5 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
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Last Modified
23 October 2015