loading...| Preferred Name |
daunorubicin |
|
| Synonyms |
Daunorubicin (1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranoside (+)-daunomycin daunorubicin daunorubicinum leukaemomycin C (8S-cis)-8-acetyl-10-((3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyrannosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-5,12-napthacenedione Daunomycin acetyladriamycin DAUNOMYCIN |
|
| Definitions |
A natural product found in Actinomadura roseola. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_41977 |
|
| charge |
0 |
|
| database_cross_reference |
KEGG:D07776 KEGG:C01907 Reaxys:1445583 Drug_Central:786 Wikipedia:Daunorubicin LINCS:LSM-2962 PDBeChem:DM1 PMID:23414337 DrugBank:DB00694 CAS:20830-81-3 PMID:10820108 PMID:23900905 Beilstein:1445583 PMID:24396448 LIPID_MAPS_instance:LMPK13050002 |
|
| definition |
A natural product found in Actinomadura roseola. |
|
| formula |
C27H29NO10 |
|
| has parent hydride | ||
| has role | ||
| has_alternative_id |
CHEBI:65723 CHEBI:23560 CHEBI:41970 CHEBI:4330 |
|
| has_exact_synonym |
Daunorubicin (1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranoside |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
(+)-daunomycin daunorubicin daunorubicinum leukaemomycin C (8S-cis)-8-acetyl-10-((3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyrannosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-5,12-napthacenedione Daunomycin acetyladriamycin DAUNOMYCIN |
|
| id |
CHEBI:41977 |
|
| in_subset | ||
| inchi |
InChI=1S/C27H29NO10/c1-10-22(30)14(28)7-17(37-10)38-16-9-27(35,11(2)29)8-13-19(16)26(34)21-20(24(13)32)23(31)12-5-4-6-15(36-3)18(12)25(21)33/h4-6,10,14,16-17,22,30,32,34-35H,7-9,28H2,1-3H3/t10-,14-,16-,17-,22+,27-/m0/s1 |
|
| inchikey |
STQGQHZAVUOBTE-VGBVRHCVSA-N |
|
| is conjugate base of | ||
| label |
daunorubicin |
|
| mass |
527.51990 |
|
| monoisotopicmass |
527.17915 |
|
| notation |
CHEBI:41977 |
|
| prefLabel |
daunorubicin |
|
| smiles |
COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(C)=O |
|
| treeView |
http://purl.obolibrary.org/obo/CHEBI_22507 http://purl.obolibrary.org/obo/CHEBI_51286 |
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_22507 http://purl.obolibrary.org/obo/CHEBI_51286 |