CHEBI:198419 - Roseothricin (H-277)

ChEBI IDCHEBI:198419
ChEBI NameRoseothricin (H-277)
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SubmitterMetaboLights
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FormulaC18H37N7O6
Net Charge0
Average Mass447.537
Monoisotopic Mass447.28053
SMILESNCCCC(N)CC(=O)NC(CNC1=NCC(C(O)(C=O)CN)N1)C(O)C(O)CCO
InChIInChI=1S/C18H37N7O6/c19-4-1-2-11(21)6-15(29)24-12(16(30)13(28)3-5-26)7-22-17-23-8-14(25-17)18(31,9-20)10-27/h10-14,16,26,28,30-31H,1-9,19-21H2,(H,24,29)(H2,22,23,25)
InChIKeyZQUFOUIPSCWWOT-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Streptomyces roseochromogenus (ncbitaxon:285450) - DOI (10.1021/ja01639a082)
ChEBI Ontology
Outgoing Relation(s)
Roseothricin (H-277) (CHEBI:198419) has functional parent β-amino acid (CHEBI:33706)
Roseothricin (H-277) (CHEBI:198419) is a organonitrogen compound (CHEBI:35352)
Roseothricin (H-277) (CHEBI:198419) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
3,6-diamino-N-[1-[[5-(1-amino-2-hydroxy-3-oxopropan-2-yl)-4,5-dihydro-1H-imidazol-2-yl]amino]-3,4,6-trihydroxyhexan-2-yl]hexanamide
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