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aclacinomycin A(1+)

CHEBI:CHEBI_74353

Definition

An anthracycline cation that is the conjugate acid of aclacinomycin A, obtained by protonation of the tertiary amino group.

Chemical Information

Molecular Formula
C42H54NO15
Molecular Mass
812.87590
Charge
+1
SMILES
CC[C@@]1(O)C[C@H](O[C@H]2C[C@@H]([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)[NH+](C)C)c2c(O)c3C(=O)c4c(O)cccc4C(=O)c3cc2[C@H]1C(=O)OC
InChI
InChI=1S/C42H53NO15/c1-8-42(51)17-28(33-22(35(42)41(50)52-7)14-23-34(38(33)49)37(48)32-21(36(23)47)10-9-11-26(32)45)56-30-15-24(43(5)6)39(19(3)54-30)58-31-16-27(46)40(20(4)55-31)57-29-13-12-25(44)18(2)53-29/h9-11,14,18-20,24,27-31,35,39-40,45-46,49,51H,8,12-13,15-17H2,1-7H3/p+1/t18-,19-,20-,24-,27-,28-,29-,30-,31-,35-,39+,40+,42+/m0/s1
InChIKey
USZYSDMBJDPRIF-SVEJIMAYSA-O

Alternative Names

  • (1S,3R,4R)-3-ethyl-3,10,12-trihydroxy-4-(methoxycarbonyl)-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 2,3,6-trideoxy-4-O-{2,6-dideoxy-4-O-[(2R,6S)-6-methyl-5-oxotetrahydro-2H-pyran-2-yl]-alpha-L-lyxo-hexopyranosyl}-3-(dimethylazaniumyl)-alpha-L-lyxo-hexopyranoside

Drug Classification

Important Medical Information

⚕️ This information is sourced from ChEBI (Chemical Entities of Biological Interest) database and is intended for educational purposes only.

  • Always consult with a healthcare professional before starting, stopping, or modifying any medication.
  • Side effects may vary and this list may not be comprehensive.
  • Drug interactions may occur with other medications.

Additional Identifiers

core#notation
CHEBI:74353
oboInOwl#hasDbXref
PMID:12878604

Additional References

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Additional Attributes

oboInOwl#hasOBONamespace
chebi_ontology
oboInOwl#id
CHEBI:74353
core#notation
CHEBI:74353
oboInOwl#hasDbXref
PMID:12878604
oboInOwl#inSubset
http://purl.obolibrary.org/obo/chebi#3_STAR
chebi#is_conjugate_acid_of
http://purl.obolibrary.org/obo/CHEBI_77980
22-rdf-syntax-ns#type
http://www.w3.org/2002/07/owl#Class
chebi#is_conjugate_base_of
http://purl.obolibrary.org/obo/CHEBI_77980
owl#annotatedSource
t282877
owl#someValuesFrom
t296001