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aclacinomycin T (CHEBI:74351)

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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
See structure as:  Image  Applet
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Formula Source
C30H35NO10 ChEBI
Net Charge 0
Average Mass 569.59960
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): antibiotic
A substance that is biostatic or biocidal at low concentrations towards bacteria, yeasts, moulds, or other form of life, especially pathogenic or noxious organisms. Although the term was originally restricted to substances produced by microorganisms, its use was later expanded to include derivatives of such substances and it is now commonly used to include entirely synthetic compounds.
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via polyketide )
Application(s): antibiotic
A substance that is biostatic or biocidal at low concentrations towards bacteria, yeasts, moulds, or other form of life, especially pathogenic or noxious organisms. Although the term was originally restricted to substances produced by microorganisms, its use was later expanded to include derivatives of such substances and it is now commonly used to include entirely synthetic compounds.
antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
View more on the ChEBI Ontology
ChEBI Ontology
Outgoing aclacinomycin T (CHEBI:74351) has functional parent aklavinone (CHEBI:31181)
aclacinomycin T (CHEBI:74351) has role antibiotic (CHEBI:22582)
aclacinomycin T (CHEBI:74351) has role antineoplastic agent (CHEBI:35610)
aclacinomycin T (CHEBI:74351) is a aminoglycoside (CHEBI:47779)
aclacinomycin T (CHEBI:74351) is a anthracycline (CHEBI:48120)
aclacinomycin T (CHEBI:74351) is a carboxylic ester (CHEBI:33308)
aclacinomycin T (CHEBI:74351) is a deoxy hexoside (CHEBI:35315)
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 quinone (CHEBI:36141)
aclacinomycin T (CHEBI:74351) is a tertiary alcohol (CHEBI:26878)
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 ChemIDplus
Citations Waiting for Citations Types Sources
11004563 PubMed citation SUBMITTER
11934504 PubMed citation CiteXplore
12427929 PubMed citation CiteXplore
12878604 PubMed citation SUBMITTER
13345780 PubMed citation CiteXplore
13345780 PubMed citation CiteXplore
348304 PubMed citation CiteXplore
591449 PubMed citation CiteXplore
591449 PubMed citation CiteXplore
Last Modified
09 June 2014

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