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CHEBI:189351 - CJ-15,801

ChEBI IDCHEBI:189351
ChEBI NameCJ-15,801
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC9H15NO5
Net Charge0
Average Mass217.221
Monoisotopic Mass217.09502
SMILESCC(C)(CO)[C@@H](O)C(=O)N/C=C/C(=O)O
InChIInChI=1S/C9H15NO5/c1-9(2,5-11)7(14)8(15)10-4-3-6(12)13/h3-4,7,11,14H,5H2,1-2H3,(H,10,15)(H,12,13)/b4-3+/t7-/m0/s1
InChIKeyHWKKTJQAKVPKTK-SDLBARTOSA-N
Species of MetaboliteComponentSourceComments
Arabidopsis thaliana (ncbitaxon:3702) leaf (BTO:0000713) MetaboLights (MTBLS3997)
ChEBI Ontology
Outgoing Relation(s)
CJ-15,801 (CHEBI:189351) has functional parent acrylic acid (CHEBI:18308)
CJ-15,801 (CHEBI:189351) is a olefinic compound (CHEBI:78840)
IUPAC Name 
(E)-3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]prop-2-enoic acid
Manual XrefsDatabases
5292631ChemSpider