EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:223216 - Auramycin D

ChEBI IDCHEBI:223216
ChEBI NameAuramycin D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H33NO10
Net Charge0
Average Mass555.580
Monoisotopic Mass555.21045
SMILESCOC(=O)[C@@H]1c2cc3c(c(O)c2[C@H](O[C@@H]2C[C@H](N(C)C)[C@@H](O)[C@H](C)O2)C[C@]1(C)O)C(=O)c1c(O)cccc1C3=O
InChIInChI=1S/C29H33NO10/c1-12-24(32)16(30(3)4)10-19(39-12)40-18-11-29(2,37)23(28(36)38-5)14-9-15-22(27(35)21(14)18)26(34)20-13(25(15)33)7-6-8-17(20)31/h6-9,12,16,18-19,23-24,31-32,35,37H,10-11H2,1-5H3/t12-,16-,18+,19+,23-,24-,29-/m0/s1
InChIKeyQJXJRECTYIMQFD-YULHHQJHSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (7186414)
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)
Auramycin D (CHEBI:223216) is a anthracycline (CHEBI:48120)
IUPAC Name 
methyl (1R,2S,4R)-4-[(2S,4S,5R,6S)-4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-2,5,7-trihydroxy-2-methyl-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate
Manual XrefsDatabases
78443071ChemSpider