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CHEBI:176471 - Pyridosine

ChEBI IDCHEBI:176471
ChEBI NamePyridosine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H18N2O4
Net Charge0
Average Mass254.286
Monoisotopic Mass254.12666
SMILESCc1cc(=O)c(O)cn1CCCC[C@H](N)C(=O)O
InChIInChI=1S/C12H18N2O4/c1-8-6-10(15)11(16)7-14(8)5-3-2-4-9(13)12(17)18/h6-7,9,16H,2-5,13H2,1H3,(H,17,18)/t9-/m0/s1
InChIKeyHNGPZFLHRXCYGZ-VIFPVBQESA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) MetaboLights (MTBLS2295)
Roles Classification
Chemical Roles:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Pyridosine (CHEBI:176471) is a L-α-amino acid (CHEBI:15705)
IUPAC Name 
(2S)-2-amino-6-(5-hydroxy-2-methyl-4-oxopyridin-1-yl)hexanoic acid
Manual XrefsDatabases
167602ChemSpider
Registry NumbersSources
CAS:31489-08-4ChemIDplus