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CHEBI:31056 - 13-deoxycarminomycin

ChEBI IDCHEBI:31056
ChEBI Name13-deoxycarminomycin
Stars
DefinitionA cytotoxic anthracycline antibiotic that is produced by Streptomyces peucetius var. carminatus (a biochemical mutant of Streptomyces peucetius var. caesius), and is active against P-388 murine leukemia.
Last Modified5 April 2018
DownloadsMolfile
FormulaC26H29NO9
Net Charge0
Average Mass499.516
Monoisotopic Mass499.18423
SMILESCC[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O[C@H]2C[C@H](N)[C@H](O)[C@H](C)O2)C1)C(=O)c1c(O)cccc1C3=O
InChIInChI=1S/C26H29NO9/c1-3-26(34)8-12-18(15(9-26)36-16-7-13(27)21(29)10(2)35-16)25(33)20-19(23(12)31)22(30)11-5-4-6-14(28)17(11)24(20)32/h4-6,10,13,15-16,21,28-29,31,33-34H,3,7-9,27H2,1-2H3/t10-,13-,15-,16-,21+,26-/m0/s1
InChIKeyUHYFCDBUKBJSFA-JYFLSIMMSA-N
Species of MetaboliteComponentSourceComments
Streptomyces peucetius (ncbitaxon:1950) - PubMed (3861771) Strain: ATCC 31502
Roles Classification
Biological Roles:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
antimicrobial agent  A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
antimicrobial agent  A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
13-deoxycarminomycin (CHEBI:31056) has parent hydride tetracene (CHEBI:32600)
13-deoxycarminomycin (CHEBI:31056) has role antineoplastic agent (CHEBI:35610)
13-deoxycarminomycin (CHEBI:31056) has role bacterial metabolite (CHEBI:76969)
13-deoxycarminomycin (CHEBI:31056) is a p-quinones (CHEBI:25830)
13-deoxycarminomycin (CHEBI:31056) is a aminoglycoside antibiotic (CHEBI:22507)
13-deoxycarminomycin (CHEBI:31056) is a anthracycline antibiotic (CHEBI:49322)
13-deoxycarminomycin (CHEBI:31056) is a tertiary alcohol (CHEBI:26878)
13-deoxycarminomycin (CHEBI:31056) is a tetracenequinones (CHEBI:51286)
13-deoxycarminomycin (CHEBI:31056) is conjugate base of 13-deoxycarminomycin(1+) (CHEBI:140329)
Incoming Relation(s)
13-deoxycarminomycin(1+) (CHEBI:140329) is conjugate acid of 13-deoxycarminomycin (CHEBI:31056)
IUPAC Name 
(1S,3S)-3-ethyl-3,5,10,12-tetrahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxy-α-L-lyxo-hexopyranoside
Synonyms  Source
R 20XChemIDplus
Antibiotic D 788-11ChemIDplus
13-deoxocarminomycinChEBI
Manual XrefsDatabases
C12428KEGG COMPOUND
CPD-15732MetaCyc
Registry NumbersSources
Reaxys:4622067Reaxys
CAS:76034-18-9KEGG COMPOUND
CAS:76034-18-9ChemIDplus
Citations