CHEBI:74351 - aclacinomycin T

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ChEBI Name aclacinomycin T
ChEBI ID CHEBI:74351
Definition An anthracycline that is aklavinone having an α-L-rhodosaminyl residue attached at position 4 via a glycosidic linkage.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter KAX
Secondary ChEBI IDs CHEBI:74734
Supplier Information
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Formula C30H35NO10
Net Charge 0
Average Mass 569.59960
Monoisotopic Mass 569.226
InChI InChI=1S/C30H35NO10/c1-6-30(38)12-19(41-20-11-17(31(3)4)25(33)13(2)40-20)22-15(24(30)29(37)39-5)10-16-23(28(22)36)27(35)21-14(26(16)34)8-7-9-18(21)32/h7-10,13,17,19-20,24-25,32-33,36,38H,6,11-12H2,1-5H3/t13-,17-,19-,20-,24-,25+,30+/m0/s1
InChIKey LJZPVWKMAYDYAS-QKKPTTNWSA-N
SMILES CC[C@@]1(O)C[C@H](O[C@H]2C[C@@H]([C@H](O)[C@H](C)O2)N(C)C)c2c(O)c3C(=O)c4c(O)cccc4C(=O)c3cc2[C@H]1C(=O)OC
Roles Classification
Biological Role(s): 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.
(via anthracycline )
Application(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing aclacinomycin T (CHEBI:74351) has functional parent aklavinone (CHEBI:31181)
aclacinomycin T (CHEBI:74351) has role antimicrobial agent (CHEBI:33281)
aclacinomycin T (CHEBI:74351) has role antineoplastic agent (CHEBI:35610)
aclacinomycin T (CHEBI:74351) has role metabolite (CHEBI:25212)
aclacinomycin T (CHEBI:74351) is a aminoglycoside (CHEBI:47779)
aclacinomycin T (CHEBI:74351) is a anthracycline (CHEBI:48120)
aclacinomycin T (CHEBI:74351) is a deoxy hexoside (CHEBI:35315)
aclacinomycin T (CHEBI:74351) is a methyl ester (CHEBI:25248)
aclacinomycin T (CHEBI:74351) is a monosaccharide derivative (CHEBI:63367)
aclacinomycin T (CHEBI:74351) is a phenols (CHEBI:33853)
aclacinomycin T (CHEBI:74351) is a polyketide (CHEBI:26188)
aclacinomycin T (CHEBI:74351) is a tertiary alcohol (CHEBI:26878)
aclacinomycin T (CHEBI:74351) is a tetracenequinones (CHEBI:51286)
aclacinomycin T (CHEBI:74351) is conjugate base of aclacinomycin T(1+) (CHEBI:74755)
aclacinomycin T (CHEBI:74351) is tautomer of aclacinomycin T zwitterion (CHEBI:77979)
Incoming aclacinomycin T(1+) (CHEBI:74755) is conjugate acid of aclacinomycin T (CHEBI:74351)
aclacinomycin T zwitterion (CHEBI:77979) is tautomer of aclacinomycin T (CHEBI:74351)
IUPAC Name
methyl (1R,2R,4S)-2-ethyl-2,5,7-trihydroxy-6,11-dioxo-4-{[2,3,6-trideoxy-3-(dimethylamino)-α-L-lyxo-hexopyranosyl]oxy}-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate
Synonyms Sources
1-deoxypyrromycin ChemIDplus
aclacinomycin T ChemIDplus
aklavin ChemIDplus
aklavine ChEBI
antibiotic MA 144T1 ChemIDplus
doxypyrromycin ChemIDplus
MA 144T1 ChemIDplus
methyl (1R,2R,4S)-4-{[(2R,4S,5S,6S)-4-(dimethylamino)-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-2-ethyl-2,5,7-trihydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate IUPAC
NSC 100290 ChemIDplus
Rhodosaminyl-aklavinone KEGG COMPOUND
Database Links Databases
C18634 KEGG COMPOUND
US2009149545 Patent
US7544712 Patent
View more database links
Registry Numbers Types Sources
4898215 Reaxys Registry Number Reaxys
60504-57-6 CAS Registry Number KEGG COMPOUND
60504-57-6 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
11004563 PubMed citation SUBMITTER
11934504 PubMed citation Europe PMC
12427929 PubMed citation Europe PMC
12878604 PubMed citation SUBMITTER
13345780 PubMed citation Europe PMC
13345780 PubMed citation Europe PMC
348304 PubMed citation Europe PMC
591449 PubMed citation Europe PMC
591449 PubMed citation Europe PMC
Last Modified
06 March 2015