EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:213614 - Urdamycin N2

ChEBI IDCHEBI:213614
ChEBI NameUrdamycin N2
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC38H44O13
Net Charge0
Average Mass708.757
Monoisotopic Mass708.27819
SMILESCOc1cc2c(c3c(O)cc(C)cc13)C(=O)c1ccc([C@H]3C[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)O3)c(O)c1C2=O
InChIInChI=1S/C38H44O13/c1-15-10-21-26(46-5)12-22-32(31(21)23(39)11-15)37(44)20-7-6-19(36(43)33(20)38(22)45)27-14-28(35(42)18(4)47-27)51-29-9-8-25(16(2)48-29)50-30-13-24(40)34(41)17(3)49-30/h6-7,10-12,16-18,24-25,27-30,34-35,39-43H,8-9,13-14H2,1-5H3/t16-,17+,18+,24+,25-,27+,28+,29-,30-,34+,35+/m0/s1
InChIKeySPABTTCNMTWDLY-NIVRZIQSSA-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 N2 (CHEBI:213614) 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-5-methoxy-3-methylbenzo[a]anthracene-7,12-dione
Manual XrefsDatabases
71044328ChemSpider