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CHEBI:177618 - spinacine

ChEBI IDCHEBI:177618
ChEBI Namespinacine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC7H9N3O2
Net Charge0
Average Mass167.168
Monoisotopic Mass167.06948
SMILESO=C(O)[C@@H]1Cc2ncnc2CN1
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)/t5-/m0/s1
InChIKeyYCFJXOFFQLPCHD-YFKPBYRVSA-N
Species of MetaboliteComponentSourceComments
Sus scrofa (ncbitaxon:9823) Sausage (ENVO:00002166) MetaboLights (MTBLS2871)
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)
spinacine (CHEBI:177618) is a α-amino acid (CHEBI:33704)
IUPAC Name 
(6S)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxylic acid
Manual XrefsDatabases
143009ChemSpider
Registry NumbersSources
CAS:59981-63-4ChemIDplus