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CHEBI:47385 - 2'-BROMO-4'-EPIDAUNORUBICIN

Default Structure
ChEBI IDCHEBI:47385
ChEBI Name2'-BROMO-4'-EPIDAUNORUBICIN
Stars
DownloadsMolfile
FormulaC27H28BrNO10
Net Charge0
Average Mass606.422
Monoisotopic Mass605.08966
SMILES[H]Oc1c2c(c(O[H])c3c1C([H])([H])[C@@](O[H])(C(=O)C([H])([H])[H])C([H])([H])[C@]3([H])O[C@]1([H])O[C@@]([H])(C([H])([H])[H])[C@]([H])(O[H])[C@@]([H])(N([H])[H])[C@@]1([H])Br)C(=O)c1c(OC([H])([H])[H])c([H])c([H])c([H])c1C2=O
InChIInChI=1S/C27H28BrNO10/c1-9-21(31)20(29)19(28)26(38-9)39-14-8-27(36,10(2)30)7-12-16(14)25(35)18-17(23(12)33)22(32)11-5-4-6-13(37-3)15(11)24(18)34/h4-6,9,14,19-21,26,31,33,35-36H,7-8,29H2,1-3H3/t9-,14-,19+,20-,21-,26-,27-/m0/s1
InChIKeyRNTSDANIDLGPLQ-VQBVCDDFSA-N
ChEBI Ontology
Outgoing Relation(s)
2'-BROMO-4'-EPIDAUNORUBICIN (CHEBI:47385) is a unclassifieds (CHEBI:27189)
Synonyms  Source
(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2-bromo-2,3,6-trideoxy-alpha-L-mannopyranosidePDBeChem
2'-BROMO-4'-EPIDAUNORUBICINPDBeChem
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