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CHEBI:225289 - BY-81

ChEBI IDCHEBI:225289
ChEBI NameBY-81
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SubmitterMetaboLights
DownloadsMolfile
FormulaC17H28N8O8
Net Charge0
Average Mass472.459
Monoisotopic Mass472.20301
SMILESCN(C(=O)CN=CN)[C@@H]1[C@H](O)[C@@H](OC(N)=O)[C@@H](CO)O[C@H]1NC1=N[C@@H]2C(=O)NC[C@@H](O)[C@H]2N1
InChIInChI=1S/C17H28N8O8/c1-25(8(28)3-20-5-18)11-12(29)13(33-16(19)31)7(4-26)32-15(11)24-17-22-9-6(27)2-21-14(30)10(9)23-17/h5-7,9-13,15,26-27,29H,2-4H2,1H3,(H2,18,20)(H2,19,31)(H,21,30)(H2,22,23,24)/t6-,7-,9-,10+,11-,12+,13+,15-/m1/s1
InChIKeyROKSIPBKLFPFQC-JUFPZOJRSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (4970417)
ChEBI Ontology
Outgoing Relation(s)
BY-81 (CHEBI:225289) is a amino acid amide (CHEBI:22475)
IUPAC Name 
[(2R,3R,4S,5R,6R)-6-[[(3aS,7R,7aS)-7-hydroxy-4-oxo-1,3a,5,6,7,7a-hexahydroimidazo[4,5-c]pyridin-2-yl]amino]-5-[[2-(aminomethylideneamino)acetyl]-methylamino]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl] carbamate
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