CHEBI:31047 - 10-carboxy-13-deoxycarminomycin

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ChEBI Name 10-carboxy-13-deoxycarminomycin
ChEBI ID CHEBI:31047
Definition An anthracycline antibiotic that is 13-deoxycarminomycin substituted at position 10 by a carboxy group.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information ChemicalBook:CB9463336, eMolecules:30512482, eMolecules:2726153, ZINC000003881958
Download Molfile XML SDF
Formula C27H29NO11
Net Charge 0
Average Mass 543.51930
Monoisotopic Mass 543.17406
InChI InChI=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
InChIKey MMYTYGXIKKVLES-AGMCFEMXSA-N
SMILES CC[C@@]1(O)C[C@H](O[C@H]2C[C@H](N)[C@H](O)[C@H](C)O2)c2c(O)c3C(=O)c4c(O)cccc4C(=O)c3c(O)c2[C@H]1C(O)=O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): antimicrobial agent
A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
(via anthracycline antibiotic )
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via anthracycline )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 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 Sources
D 788-1 KEGG COMPOUND
D-788-1 ChemIDplus
D788-1 ChemIDplus
Manual Xrefs Databases
C12427 KEGG COMPOUND
CPD-15739 MetaCyc
View more database links
Registry Number Type Source
97583-07-8 CAS Registry Number ChemIDplus
Citations Types Sources
1880908 PubMed citation Europe PMC
3700249 PubMed citation Europe PMC
7490224 PubMed citation Europe PMC
8436560 PubMed citation Europe PMC
9098063 PubMed citation Europe PMC
Last Modified
06 June 2016