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CHEBI:201946 - Mildiomycin

ChEBI IDCHEBI:201946
ChEBI NameMildiomycin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H30N8O9
Net Charge0
Average Mass514.496
Monoisotopic Mass514.21357
SMILESNC(N)=NCC(O)CC(O)(C(=O)O)[C@H]1O[C@@H](n2cc(CO)c(N)nc2=O)C=C[C@@H]1NC(=O)C(N)CO
InChIInChI=1S/C19H30N8O9/c20-10(7-29)15(31)25-11-1-2-12(27-5-8(6-28)14(21)26-18(27)34)36-13(11)19(35,16(32)33)3-9(30)4-24-17(22)23/h1-2,5,9-13,28-30,35H,3-4,6-7,20H2,(H,25,31)(H,32,33)(H2,21,26,34)(H4,22,23,24)/t9?,10?,11-,12+,13-,19?/m0/s1
InChIKeyQKJJCZYFXJCKRX-AMYGDCFASA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - DOI (10.1021/ja00483a047)
ChEBI Ontology
Outgoing Relation(s)
Mildiomycin (CHEBI:201946) has functional parent γ-amino acid (CHEBI:33707)
Mildiomycin (CHEBI:201946) is a organonitrogen compound (CHEBI:35352)
Mildiomycin (CHEBI:201946) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
2-[(2S,3S,6R)-6-[4-amino-5-(hydroxymethyl)-2-oxopyrimidin-1-yl]-3-[(2-amino-3-hydroxypropanoyl)amino]-3,6-dihydro-2H-pyran-2-yl]-5-(diaminomethylideneamino)-2,4-dihydroxypentanoic acid
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