CHEBI:88539 - Pyridinoline

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Pyridinoline
ChEBI ID CHEBI:88539
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C18H28N4O8
Net Charge 0
Average Mass 428.438
Monoisotopic Mass 428.191
InChI InChI=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
InChIKey LCYXYLLJXMAEMT-SAXRGWBVSA-N
SMILES O[C@@H](C[N+]=1C=C(C(C[C@H](N)C(O)=O)=C(O)C1)CC[C@H](N)C(O)=O)CC[C@H](N)C([O-])=O
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in urine (BTO:0001419). See: PubMed
Homo sapiens (NCBI:txid9606) Found in blood (UBERON:0000178). See: PubMed
ChEBI Ontology
Outgoing 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)
IUPAC Name
4-[(2S)-2-amino-2-carboxyethyl]-3-[(3S)-3-amino-3-carboxypropyl]-1-[(2R,5S)-5-amino-5-carboxylato-2-hydroxypentyl]-5-hydroxypyridin-1-ium
Synonyms Sources
(+)-pyridinoline HMDB
1-(2S)-(+)-Pyridinoline HMDB
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 salt HMDB
Hydroxylysylpyridinoline HMDB
Manual Xref Database
HMDB0000851 HMDB
View more database links
Registry Number Type Source
63800-01-1 CAS Registry Number KEGG COMPOUND
Citations Waiting for Citations Types Sources
10066644 PubMed citation Europe PMC
10220833 PubMed citation Europe PMC
10441478 PubMed citation Europe PMC
10505220 PubMed citation Europe PMC
11678886 PubMed citation Europe PMC
11869072 PubMed citation Europe PMC
12372096 PubMed citation Europe PMC
12600412 PubMed citation Europe PMC
12814623 PubMed citation Europe PMC
15338487 PubMed citation Europe PMC
15955452 PubMed citation Europe PMC
15978265 PubMed citation Europe PMC
641035 PubMed citation Europe PMC
6879435 PubMed citation Europe PMC
7510346 PubMed citation Europe PMC
8185700 PubMed citation Europe PMC
8268758 PubMed citation Europe PMC
9316552 PubMed citation Europe PMC
9766899 PubMed citation Europe PMC