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Pyridinoline

Go to external page http://purl.obolibrary.org/obo/CHEBI_88539

Term info

Label

Pyridinoline

database cross reference
Subsets

2_STAR

charge

0

formula

C18H28N4O8

has obo namespace

chebi_ontology

has related synonym

(+)-pyridinoline, 1-(2S)-(+)-Pyridinoline, 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, 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, Hydroxylysylpyridinoline

id

CHEBI:88539

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

mass

428.438

monoisotopicmass

428.19071

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