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CHEBI:31047 - 10-carboxy-13-deoxycarminomycin

ChEBI IDCHEBI:31047
ChEBI Name10-carboxy-13-deoxycarminomycin
Stars
DefinitionAn anthracycline antibiotic that is 13-deoxycarminomycin substituted at position 10 by a carboxy group.
Last Modified6 June 2016
DownloadsMolfile
FormulaC27H29NO11
Net Charge0
Average Mass543.525
Monoisotopic Mass543.17406
SMILESCC[C@@]1(O)C[C@H](O[C@H]2C[C@H](N)[C@H](O)[C@H](C)O2)c2c(O)c3c(c(O)c2[C@H]1C(=O)O)C(=O)c1cccc(O)c1C3=O
InChIInChI=1S/C27H29NO11/c1-3-27(37)8-13(39-14-7-11(28)21(30)9(2)38-14)16-17(20(27)26(35)36)25(34)18-19(24(16)33)23(32)15-10(22(18)31)5-4-6-12(15)29/h4-6,9,11,13-14,20-21,29-30,33-34,37H,3,7-8,28H2,1-2H3,(H,35,36)/t9-,11-,13-,14-,20-,21+,27+/m0/s1
InChIKeyMMYTYGXIKKVLES-AGMCFEMXSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Roles:
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.
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)
10-carboxy-13-deoxycarminomycin (CHEBI:31047) has functional parent carminomycin (CHEBI:31359)
10-carboxy-13-deoxycarminomycin (CHEBI:31047) is a p-quinones (CHEBI:25830)
10-carboxy-13-deoxycarminomycin (CHEBI:31047) is a aminoglycoside (CHEBI:47779)
10-carboxy-13-deoxycarminomycin (CHEBI:31047) is a anthracycline antibiotic (CHEBI:49322)
10-carboxy-13-deoxycarminomycin (CHEBI:31047) is a deoxy hexoside (CHEBI:35315)
10-carboxy-13-deoxycarminomycin (CHEBI:31047) is a hydroxy monocarboxylic acid (CHEBI:35868)
10-carboxy-13-deoxycarminomycin (CHEBI:31047) is a monosaccharide derivative (CHEBI:63367)
10-carboxy-13-deoxycarminomycin (CHEBI:31047) is tautomer of 10-carboxy-13-deoxycarminomycin zwitterion (CHEBI:77077)
Incoming Relation(s)
10-carboxy-13-deoxycarminomycin zwitterion (CHEBI:77077) is tautomer of 10-carboxy-13-deoxycarminomycin (CHEBI:31047)
IUPAC Name 
(1R,2R,4S)-4-[(3-amino-2,3,6-trideoxy-α-L-lyxo-hexopyranosyl)oxy]-2-ethyl-2,5,7,12-tetrahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracene-1-carboxylic acid
Synonyms  Source
D 788-1KEGG COMPOUND
D-788-1ChemIDplus
D788-1ChemIDplus
Manual XrefsDatabases
C12427KEGG COMPOUND
CPD-15739MetaCyc
Registry NumbersSources
CAS:97583-07-8KEGG COMPOUND
CAS:97583-07-8ChemIDplus
Citations