EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:224981 - Betaclamycin T

ChEBI IDCHEBI:224981
ChEBI NameBetaclamycin T
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H33NO10
Net Charge0
Average Mass543.569
Monoisotopic Mass543.21045
SMILESCC[C@@]1(O)C[C@H](O[C@@H]2C[C@H](N(C)C)[C@H](O)[C@H](C)O2)c2c(O)c3c(c(O)c2[C@H]1O)C(=O)c1cccc(O)c1C3=O
InChIInChI=1S/C28H33NO10/c1-5-28(37)10-15(39-16-9-13(29(3)4)22(31)11(2)38-16)18-21(27(28)36)26(35)19-20(25(18)34)24(33)17-12(23(19)32)7-6-8-14(17)30/h6-8,11,13,15-16,22,27,30-31,34-37H,5,9-10H2,1-4H3/t11-,13-,15-,16+,22+,27+,28+/m0/s1
InChIKeyHINUXGZHCXYZMB-CGKJVYEPSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (6480506)
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
Betaclamycin T (CHEBI:224981) is a anthracycline (CHEBI:48120)
IUPAC Name 
(7S,9R,10R)-7-[(2S,4S,5S,6S)-4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-9-ethyl-4,6,9,10,11-pentahydroxy-8,10-dihydro-7H-tetracene-5,12-dione
Manual XrefsDatabases
78443274ChemSpider