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CHEBI:176924 - 2-Aminovalienone

ChEBI IDCHEBI:176924
ChEBI Name2-Aminovalienone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC7H11NO4
Net Charge0
Average Mass173.168
Monoisotopic Mass173.06881
SMILESNC1C(=O)C=C(CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C7H11NO4/c8-5-4(10)1-3(2-9)6(11)7(5)12/h1,5-7,9,11-12H,2,8H2/t5?,6-,7-/m1/s1
InChIKeyMRRIQZMIKWLLBS-JXBXZBNISA-N
Species of MetaboliteComponentSourceComments
Streptococcus mutans (ncbitaxon:1309) biofilm (BTO:0002690) MetaboLights (MTBLS3020) Strain: Streptococcus mutans UA159 [NCBI:txid210007]
ChEBI Ontology
Outgoing Relation(s)
2-Aminovalienone (CHEBI:176924) is a cyclohexenones (CHEBI:48953)
IUPAC Name 
(4R,5R)-6-amino-4,5-dihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-one
Manual XrefsDatabases
C21248KEGG COMPOUND