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CHEBI:223444 - 2-hydroxyaclacinomycin A

ChEBI IDCHEBI:223444
ChEBI Name2-hydroxyaclacinomycin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC42H53NO16
Net Charge0
Average Mass827.877
Monoisotopic Mass827.33643
SMILESCC[C@]1(O)C[C@@H](O[C@@H]2C[C@H](N(C)C)[C@H](O[C@H]3C[C@@H](O)[C@H](O[C@H]4CCC(=O)[C@H](C)O4)[C@@H](C)O3)[C@@H](C)O2)c2c(cc3c(c2O)C(=O)c2c(O)cc(O)cc2C3=O)[C@@H]1C(=O)OC
InChIInChI=1S/C42H53NO16/c1-8-42(52)16-28(33-21(35(42)41(51)53-7)13-23-34(38(33)50)37(49)32-22(36(23)48)11-20(44)12-26(32)46)57-30-14-24(43(5)6)39(18(3)55-30)59-31-15-27(47)40(19(4)56-31)58-29-10-9-25(45)17(2)54-29/h11-13,17-19,24,27-31,35,39-40,44,46-47,50,52H,8-10,14-16H2,1-7H3/t17-,18+,19+,24-,27+,28+,29-,30+,31-,35+,39+,40+,42-/m0/s1
InChIKeyOPLSIDPSRWNQIH-RTHNWMTRSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (6945302)
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)
2-hydroxyaclacinomycin A (CHEBI:223444) is a anthracycline (CHEBI:48120)
IUPAC Name 
methyl (1S,2S,4R)-4-[(2S,4S,5S,6R)-4-(dimethylamino)-5-[(2S,4R,5S,6R)-4-hydroxy-6-methyl-5-[(2R,6S)-6-methyl-5-oxooxan-2-yl]oxyoxan-2-yl]oxy-6-methyloxan-2-yl]oxy-2-ethyl-2,5,7,9-tetrahydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate
Manual XrefsDatabases
78443093ChemSpider