EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:213628 - Urdamycin N4

ChEBI IDCHEBI:213628
ChEBI NameUrdamycin N4
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H42O13
Net Charge0
Average Mass694.730
Monoisotopic Mass694.26254
SMILESCc1cc(O)c2c3c(cc(O)c2c1)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/C37H42O13/c1-14-9-20-22(38)11-21-31(30(20)23(39)10-14)36(44)19-6-5-18(35(43)32(19)37(21)45)26-13-27(34(42)17(4)46-26)50-28-8-7-25(15(2)47-28)49-29-12-24(40)33(41)16(3)48-29/h5-6,9-11,15-17,24-29,33-34,38-43H,7-8,12-13H2,1-4H3/t15-,16+,17+,24+,25-,26+,27+,28-,29-,33+,34+/m0/s1
InChIKeyKGTWKAUEXPRGLK-DAWZRJLJSA-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 N4 (CHEBI:213628) 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]-1,5,8-trihydroxy-3-methylbenzo[a]anthracene-7,12-dione
Manual XrefsDatabases
71044330ChemSpider