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CHEBI:211725 - Atransfusarin

ChEBI IDCHEBI:211725
ChEBI NameAtransfusarin
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SubmitterMetaboLights
DownloadsMolfile
FormulaC13H18N2O4
Net Charge0
Average Mass266.297
Monoisotopic Mass266.12666
SMILESCOC(=O)CNC(=O)c1ccc(CC[C@H](C)O)cn1
InChIInChI=1S/C13H18N2O4/c1-9(16)3-4-10-5-6-11(14-7-10)13(18)15-8-12(17)19-2/h5-7,9,16H,3-4,8H2,1-2H3,(H,15,18)/t9-/m0/s1
InChIKeyAFHZRVUWHGTZOB-VIFPVBQESA-N
Species of MetaboliteComponentSourceComments
Alternaria (ncbitaxon:5598) - DOI (10.1177/1934578X19844116)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Atransfusarin (CHEBI:211725) is a N-acyl-amino acid (CHEBI:51569)
IUPAC Name 
methyl 2-[[5-[(3S)-3-hydroxybutyl]pyridine-2-carbonyl]amino]acetate