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CHEBI:216061 - Arimetamycin A

ChEBI IDCHEBI:216061
ChEBI NameArimetamycin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC39H52N2O13
Net Charge0
Average Mass756.846
Monoisotopic Mass756.34694
SMILESCOc1cc(O)c2c(c1)C(=O)c1cc3c(c(O)c1C2=O)[C@@H](O[C@H]1C[C@](C)(N(C)C)[C@H](O[C@H]2C[C@](C)(O)[C@H](N(C)C)[C@H](C)O2)[C@H](C)O1)[C@H](OC)[C@](C)(O)C3=O
InChIInChI=1S/C39H52N2O13/c1-17-33(40(6)7)38(4,47)16-25(51-17)54-35-18(2)52-24(15-37(35,3)41(8)9)53-32-28-22(34(46)39(5,48)36(32)50-11)14-21-27(31(28)45)30(44)26-20(29(21)43)12-19(49-10)13-23(26)42/h12-14,17-18,24-25,32-33,35-36,42,45,47-48H,15-16H2,1-11H3/t17-,18-,24-,25-,32+,33+,35+,36-,37-,38-,39+/m0/s1
InChIKeyORGPJBCXHIHCRV-YYNSTCJCSA-N
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)
Arimetamycin A (CHEBI:216061) is a anthracycline (CHEBI:48120)
IUPAC Name 
(2S,3S,4R)-4-[(2S,4S,5S,6S)-4-(dimethylamino)-5-[(2S,4S,5R,6S)-5-(dimethylamino)-4-hydroxy-4,6-dimethyloxan-2-yl]oxy-4,6-dimethyloxan-2-yl]oxy-2,5,7-trihydroxy-3,9-dimethoxy-2-methyl-3,4-dihydrotetracene-1,6,11-trione
Manual XrefsDatabases
78439734ChemSpider