CHEBI:201946 - Mildiomycin

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Mildiomycin
ChEBI ID CHEBI:201946
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C19H30N8O9
Net Charge 0
Average Mass 514.496
Monoisotopic Mass 514.21357
InChI InChI=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
InChIKey QKJJCZYFXJCKRX-AMYGDCFASA-N
SMILES O=C1N=C(N)C(CO)=CN1[C@@H]2O[C@H](C(O)(C(=O)O)CC(O)CN=C(N)N)[C@@H](NC(=O)C(N)CO)C=C2
Metabolite of Species Details
Streptomyces (NCBI:txid1883) See: DOI
ChEBI Ontology
Outgoing 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
Manual Xref Database
8025063 ChemSpider
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