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CHEBI:219887 - Acetylvalindolmycin

ChEBI IDCHEBI:219887
ChEBI NameAcetylvalindolmycin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H27N3O3
Net Charge0
Average Mass345.443
Monoisotopic Mass345.20524
SMILESCN[C@H](C(=O)N[C@H](COC(C)=O)Cc1cnc2ccccc12)C(C)C
InChIInChI=1S/C19H27N3O3/c1-12(2)18(20-4)19(24)22-15(11-25-13(3)23)9-14-10-21-17-8-6-5-7-16(14)17/h5-8,10,12,15,18,20-21H,9,11H2,1-4H3,(H,22,24)/t15-,18-/m0/s1
InChIKeyORZNHOJERHAKCE-YJBOKZPZSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (27194569)
ChEBI Ontology
Outgoing Relation(s)
Acetylvalindolmycin (CHEBI:219887) is a valine derivative (CHEBI:27267)
IUPAC Name 
[(2S)-3-(1H-indol-3-yl)-2-[[(2S)-3-methyl-2-(methylamino)butanoyl]amino]propyl] acetate
Manual XrefsDatabases
10375882ChemSpider