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CHEBI:224499 - Yellamycin A

ChEBI IDCHEBI:224499
ChEBI NameYellamycin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H33NO9
Net Charge0
Average Mass527.570
Monoisotopic Mass527.21553
SMILESCCC1(O)CC(O[C@H]2C[C@H](N(C)C)[C@H](O)[C@H](C)O2)c2cc3c(c(O)c2C1O)C(=O)c1cccc(O)c1C3=O
InChIInChI=1S/C28H33NO9/c1-5-28(36)11-18(38-19-10-16(29(3)4)23(31)12(2)37-19)14-9-15-21(26(34)22(14)27(28)35)24(32)13-7-6-8-17(30)20(13)25(15)33/h6-9,12,16,18-19,23,27,30-31,34-36H,5,10-11H2,1-4H3/t12-,16-,18?,19-,23+,27?,28?/m0/s1
InChIKeyORPXAKRJDMYLPY-DCDGKKTRSA-N
Species of MetaboliteComponentSourceComments
Streptomyces violaceus (ncbitaxon:1936) - PubMed (1955394)
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)
Yellamycin A (CHEBI:224499) is a anthracycline (CHEBI:48120)
IUPAC Name 
7-[(2R,4S,5S,6S)-4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-9-ethyl-4,9,10,11-tetrahydroxy-8,10-dihydro-7H-tetracene-5,12-dione
Manual XrefsDatabases
163192ChemSpider