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CHEBI:189343 - Epopromycin A

ChEBI IDCHEBI:189343
ChEBI NameEpopromycin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H36N2O6
Net Charge0
Average Mass412.527
Monoisotopic Mass412.25734
SMILESC=C(C)C[C@H](NC(=O)[C@H](CO)NC(=O)CCCCCC(C)C)C(=O)C1(CO)CO1
InChIInChI=1S/C21H36N2O6/c1-14(2)8-6-5-7-9-18(26)22-17(11-24)20(28)23-16(10-15(3)4)19(27)21(12-25)13-29-21/h14,16-17,24-25H,3,5-13H2,1-2,4H3,(H,22,26)(H,23,28)/t16-,17-,21?/m0/s1
InChIKeyXMRSQXUAYNXWEE-MVWJYJSVSA-N
Species of MetaboliteComponentSourceComments
Arabidopsis thaliana (ncbitaxon:3702) leaf (BTO:0000713) MetaboLights (MTBLS3997)
ChEBI Ontology
Outgoing Relation(s)
Epopromycin A (CHEBI:189343) is a β-hydroxy ketone (CHEBI:55380)
IUPAC Name 
N-[(2S)-3-hydroxy-1-[[(2S)-1-[2-(hydroxymethyl)oxiran-2-yl]-4-methyl-1-oxopent-4-en-2-yl]amino]-1-oxopropan-2-yl]-7-methyloctanamide
Manual XrefsDatabases
9970628ChemSpider