Preferred Name |
aclacinomycin S |
|
Synonyms |
methyl (1R,2R,4S)-2-ethyl-2,5,7-trihydroxy-6,11-dioxo-4-{[2,3,6-trideoxy-4-O-(2,6-dideoxy-alpha-L-lyxo-hexopyranosyl)-3-(dimethylamino)-alpha-L-lyxo-hexopyranosyl]oxy}-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate MA144 S1 MA 144 S1 Antibiotic MA 144S1 L-2-Deoxyfucosyl-L-rhodosaminyl-aklavinone |
|
Definitions |
An anthracycline antibiotic that is produced by Streptomyces galilaeus and also exhibits antineoplastic activity. |
|
ID |
http://purl.obolibrary.org/obo/CHEBI_79176 |
|
charge |
0 |
|
database_cross_reference |
PMID:3917377 Reaxys:8605426 PMID:6931828 CAS:64431-69-2 KEGG:C18635 PMID:6956531 PMID:6941952 PMID:7411850 MetaCyc:CPD-15765 |
|
definition |
An anthracycline antibiotic that is produced by Streptomyces galilaeus and also exhibits antineoplastic activity. |
|
formula |
C36H45NO13 |
|
has functional parent | ||
has role |
http://purl.obolibrary.org/obo/CHEBI_35610 |
|
has_exact_synonym |
methyl (1R,2R,4S)-2-ethyl-2,5,7-trihydroxy-6,11-dioxo-4-{[2,3,6-trideoxy-4-O-(2,6-dideoxy-alpha-L-lyxo-hexopyranosyl)-3-(dimethylamino)-alpha-L-lyxo-hexopyranosyl]oxy}-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate |
|
has_obo_namespace |
chebi_ontology |
|
has_related_synonym |
MA144 S1 MA 144 S1 Antibiotic MA 144S1 L-2-Deoxyfucosyl-L-rhodosaminyl-aklavinone |
|
id |
CHEBI:79176 |
|
in_subset | ||
inchi |
InChI=1S/C36H45NO13/c1-7-36(45)14-23(49-24-12-20(37(4)5)34(16(3)48-24)50-25-13-22(39)30(40)15(2)47-25)27-18(29(36)35(44)46-6)11-19-28(33(27)43)32(42)26-17(31(19)41)9-8-10-21(26)38/h8-11,15-16,20,22-25,29-30,34,38-40,43,45H,7,12-14H2,1-6H3/t15-,16-,20-,22-,23-,24-,25-,29-,30+,34+,36+/m0/s1 |
|
inchikey |
DNZPQXXGAMXDHH-FCNQEGBTSA-N |
|
is tautomer of | ||
label |
aclacinomycin S |
|
mass |
699.74140 |
|
monoisotopicmass |
699.28909 |
|
notation |
CHEBI:79176 |
|
prefLabel |
aclacinomycin S |
|
smiles |
CC[C@@]1(O)C[C@H](O[C@H]2C[C@@H]([C@H](O[C@H]3C[C@H](O)[C@H](O)[C@H](C)O3)[C@H](C)O2)N(C)C)c2c(O)c3C(=O)c4c(O)cccc4C(=O)c3cc2[C@H]1C(=O)OC |
|
treeView |
http://purl.obolibrary.org/obo/CHEBI_33853 http://purl.obolibrary.org/obo/CHEBI_51286 http://purl.obolibrary.org/obo/CHEBI_26188 http://purl.obolibrary.org/obo/CHEBI_47779 http://purl.obolibrary.org/obo/CHEBI_63353 |
|
subClassOf |
http://purl.obolibrary.org/obo/CHEBI_33853 http://purl.obolibrary.org/obo/CHEBI_51286 http://purl.obolibrary.org/obo/CHEBI_26188 http://purl.obolibrary.org/obo/CHEBI_47779 http://purl.obolibrary.org/obo/CHEBI_63353 |