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CHEBI:216765 - JBIR-110

ChEBI IDCHEBI:216765
ChEBI NameJBIR-110
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H26N2O5S
Net Charge0
Average Mass394.493
Monoisotopic Mass394.15624
SMILESCC(/C=C/C(=O)NCCS(=O)(=O)O)=C\[C@@H](C)C(=O)c1ccc(N(C)C)cc1
InChIInChI=1S/C19H26N2O5S/c1-14(5-10-18(22)20-11-12-27(24,25)26)13-15(2)19(23)16-6-8-17(9-7-16)21(3)4/h5-10,13,15H,11-12H2,1-4H3,(H,20,22)(H,24,25,26)/b10-5+,14-13+/t15-/m1/s1
InChIKeyPFWJROBANCEKNL-VVSSWBOGSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (22276693)
ChEBI Ontology
Outgoing Relation(s)
JBIR-110 (CHEBI:216765) is a aromatic ketone (CHEBI:76224)
IUPAC Name 
2-[[(2E,4E,6R)-7-[4-(dimethylamino)phenyl]-4,6-dimethyl-7-oxohepta-2,4-dienoyl]amino]ethanesulonic acid
Manual XrefsDatabases
28503694ChemSpider