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CHEBI:88539 - Pyridinoline

ChEBI IDCHEBI:88539
ChEBI NamePyridinoline
Stars
DownloadsMolfile
FormulaC18H28N4O8
Net Charge0
Average Mass428.442
Monoisotopic Mass428.19071
SMILESN[C@@H](CC[C@@H](O)C[n+]1cc(O)c(C[C@H](N)C(=O)O)c(CC[C@H](N)C(=O)O)c1)C(=O)[O-]
InChIInChI=1S/C18H28N4O8/c19-12(16(25)26)3-1-9-6-22(7-10(23)2-4-13(20)17(27)28)8-15(24)11(9)5-14(21)18(29)30/h6,8,10,12-14,23H,1-5,7,19-21H2,(H3-,24,25,26,27,28,29,30)/t10-,12+,13+,14+/m1/s1
InChIKeyLCYXYLLJXMAEMT-SAXRGWBVSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
blood (UBERON:0000178) PubMed (15338487)
urine (BTO:0001419) PubMed (9316552)
ChEBI Ontology
Outgoing Relation(s)
Pyridinoline (CHEBI:88539) has functional parent α-amino acid (CHEBI:33704)
Pyridinoline (CHEBI:88539) is a organonitrogen compound (CHEBI:35352)
Pyridinoline (CHEBI:88539) is a organooxygen compound (CHEBI:36963)
Synonyms  Source
4-[(2S)-2-amino-2-carboxyethyl]-3-[(3S)-3-amino-3-carboxypropyl]-1-[(2R,5S)-5-amino-5-carboxylato-2-hydroxypentyl]-5-hydroxypyridin-1-iumHMDB
HydroxylysylpyridinolineHMDB
1-(2S)-(+)-PyridinolineHMDB
(+)-pyridinolineHMDB
4-((2S)-2-Amino-2-carboxyethyl)-1-((2R,5S)-5-amino-5-carboxy-2-hydroxypentyl)-3-((3S)-3-amino-3-carboxypropyl)-5-hydroxy-Pyridinium inner saltHMDB
Manual XrefsDatabases
HMDB0000851HMDB
Registry NumbersSources
CAS:63800-01-1KEGG COMPOUND
Citations