CHEBI:189351 - CJ-15,801

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name CJ-15,801
ChEBI ID CHEBI:189351
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C9H15NO5
Net Charge 0
Average Mass 217.221
Monoisotopic Mass 217.09502
InChI InChI=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
InChIKey HWKKTJQAKVPKTK-SDLBARTOSA-N
SMILES O[C@H](C(CO)(C)C)C(=O)N/C=C/C(O)=O
Metabolite of Species Details
Arabidopsis thaliana (NCBI:txid3702) Found in leaf (BTO:0000713). See: MetaboLights Study
ChEBI Ontology
Outgoing 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 Xref Database
5292631 ChemSpider
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