CHEBI:207430 - Bagremycin C

ChEBI IDCHEBI:207430
ChEBI NameBagremycin C
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SubmitterMetaboLights
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FormulaC20H20N2O6S
Net Charge0
Average Mass416.455
Monoisotopic Mass416.10421
SMILESC=Cc1ccc(OC(=O)c2ccc(O)c(N)c2SC[C@@H](NC(C)=O)C(=O)O)cc1
InChIInChI=1S/C20H20N2O6S/c1-3-12-4-6-13(7-5-12)28-20(27)14-8-9-16(24)17(21)18(14)29-10-15(19(25)26)22-11(2)23/h3-9,15,24H,1,10,21H2,2H3,(H,22,23)(H,25,26)/t15-/m1/s1
InChIKeyJHYFUEHJYLZHTG-OAHLLOKOSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (28504888)
ChEBI Ontology
Outgoing Relation(s)
Bagremycin C (CHEBI:207430) is a carbonyl compound (CHEBI:36586)
IUPAC Name 
(2S)-2-acetamido-3-[2-amino-6-(4-ethenylphenoxy)carbonyl-3-hydroxyphenyl]sulanylpropanoic acid
Manual XrefsDatabases
62277939ChemSpider