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CHEBI:213603 - Urdamycin N5

ChEBI IDCHEBI:213603
ChEBI NameUrdamycin N5
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H42O12
Net Charge0
Average Mass678.731
Monoisotopic Mass678.26763
SMILESCc1cc(O)c2c3c(ccc2c1)C(=O)c1c(ccc([C@H]2C[C@@H](O[C@H]4CC[C@H](O[C@H]5C[C@@H](O)[C@H](O)[C@@H](C)O5)[C@H](C)O4)[C@H](O)[C@@H](C)O2)c1O)C3=O
InChIInChI=1S/C37H42O12/c1-15-11-19-5-6-21-31(30(19)23(38)12-15)36(43)22-8-7-20(35(42)32(22)37(21)44)26-14-27(34(41)18(4)45-26)49-28-10-9-25(16(2)46-28)48-29-13-24(39)33(40)17(3)47-29/h5-8,11-12,16-18,24-29,33-34,38-42H,9-10,13-14H2,1-4H3/t16-,17+,18+,24+,25-,26+,27+,28-,29-,33+,34+/m0/s1
InChIKeyZERODMVXPJMIMG-FTWFANDASA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (29843358)
Roles Classification
Biological Role:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
Urdamycin N5 (CHEBI:213603) is a angucycline (CHEBI:48130)
IUPAC Name 
9-[(2R,4R,5R,6R)-4-[(2S,5S,6S)-5-[(2S,4R,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]-1,8-dihydroxy-3-methylbenzo[a]anthracene-7,12-dione
Manual XrefsDatabases
71044331ChemSpider