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CHEBI:172422 - (S)-Spinacine

ChEBI IDCHEBI:172422
ChEBI Name(S)-Spinacine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC7H9N3O2
Net Charge0
Average Mass167.168
Monoisotopic Mass167.06948
SMILESO=C(O)C1Cc2ncnc2CN1
InChIInChI=1S/C7H9N3O2/c11-7(12)5-1-4-6(2-8-5)10-3-9-4/h3,5,8H,1-2H2,(H,9,10)(H,11,12)
InChIKeyYCFJXOFFQLPCHD-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2633)
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)
(S)-Spinacine (CHEBI:172422) is a α-amino acid (CHEBI:33704)
IUPAC Name 
4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxylic acid
Manual XrefsDatabases
HMDB0029873HMDB
323081ChemSpider