loading...| 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 L-2-Deoxyfucosyl-L-rhodosaminyl-aklavinone Antibiotic MA 144S1 MA 144 S1 MA144 S1 |
|
| 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 KEGG:C18635 CAS:64431-69-2 PMID:7411850 PMID:6941952 MetaCyc:CPD-15765 PMID:6931828 Reaxys:8605426 PMID:6956531 |
|
| definition |
An anthracycline antibiotic that is produced by Streptomyces galilaeus and also exhibits antineoplastic activity. |
|
| formula |
C36H45NO13 |
|
| 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_functional_parent | ||
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
L-2-Deoxyfucosyl-L-rhodosaminyl-aklavinone Antibiotic MA 144S1 MA 144 S1 MA144 S1 |
|
| 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 |
|
| RO_0000087 |
http://purl.obolibrary.org/obo/CHEBI_35610 |
|
| 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 |
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_33853 http://purl.obolibrary.org/obo/CHEBI_51286 http://purl.obolibrary.org/obo/CHEBI_47779 http://purl.obolibrary.org/obo/CHEBI_63353 |