EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:224464 - Obelmycin E

ChEBI IDCHEBI:224464
ChEBI NameObelmycin E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H53NO14
Net Charge0
Average Mass771.857
Monoisotopic Mass771.34661
SMILESCC[C@@]1(O)CCc2c(O)c3c(c(O)c2[C@H]1O[C@H]1C[C@H](N(C)C)[C@@H](O[C@H]2CC[C@H](O[C@H]4CC[C@H](O)[C@@H](C)O4)[C@@H](C)O2)[C@@H](C)O1)C(=O)c1c(O)ccc(O)c1C3=O
InChIInChI=1S/C40H53NO14/c1-7-40(49)15-14-20-29(35(46)33-32(34(20)45)36(47)30-23(43)8-9-24(44)31(30)37(33)48)39(40)55-28-16-21(41(5)6)38(19(4)52-28)54-27-13-11-25(18(3)51-27)53-26-12-10-22(42)17(2)50-26/h8-9,17-19,21-22,25-28,38-39,42-46,49H,7,10-16H2,1-6H3/t17-,18-,19-,21+,22+,25+,26+,27+,28+,38+,39-,40-/m1/s1
InChIKeyDEMGNRGNMQOOAO-GFNYFZMLSA-N
Species of MetaboliteComponentSourceComments
Streptomyces violaceus (ncbitaxon:1936) - PubMed (1955394)
ChEBI Ontology
Outgoing Relation(s)
Obelmycin E (CHEBI:224464) is a quinone (CHEBI:36141)
Obelmycin E (CHEBI:224464) is a tetracenes (CHEBI:51270)
IUPAC Name 
(9R,10R)-10-[(2S,4S,5R,6R)-4-(dimethylamino)-5-[(2S,5S,6R)-5-[(2S,5S,6R)-5-hydroxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-9-ethyl-1,4,6,9,11-pentahydroxy-8,10-dihydro-7H-tetracene-5,12-dione
Manual XrefsDatabases
78443207ChemSpider