CHEBI:31456 - Daunorubicin hydrochloride

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ChEBI Name Daunorubicin hydrochloride
ChEBI ID CHEBI:31456
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formulae C27H29NO10.HCl
C27H30ClNO10
Net Charge 0
Average Mass 563.982
Monoisotopic Mass 563.15582
InChI InChI=1S/C27H29NO10.ClH/c1-10-22(30)14(28)7-17(37-10)38-16-9-27(35,11(2)29)8-13-19(16)26(34)21-20(24(13)32)23(31)12-5-4-6-15(36-3)18(12)25(21)33;/h4-6,10,14,16-17,22,30,32,34-35H,7-9,28H2,1-3H3;1H/t10-,14-,16-,17-,22+,27-;/m0./s1
InChIKey GUGHGUXZJWAIAS-QQYBVWGSSA-N
SMILES C1=CC(=C2C(=C1)C(C=3C(C2=O)=C(C4=C(C3O)C[C@](C[C@@H]4O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O)N)(C(C)=O)O)O)=O)OC.Cl
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via anthracycline )
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ChEBI Ontology
Outgoing Daunorubicin hydrochloride (CHEBI:31456) is a anthracycline (CHEBI:48120)
Synonym Source
Daunorubicin hydrochloride KEGG COMPOUND
Manual Xref Database
D01264 KEGG DRUG
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Registry Number Type Source
23541-50-6 CAS Registry Number KEGG COMPOUND
Last Modified
06 March 2017