loading...| Preferred Name |
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|
| Synonyms |
Minocycline (4S,4aS,5aR,12aS)-4,7-bis(dimethylamino)-3,10,12,12a-tetrahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide minomycin 7-Dimethylamino-6-demethyl-6-deoxytetracycline (4S,4AS,5AR,12AS)-4,7-BIS(DIMETHYLAMINO)-3,10,12,12A-TETRAHYDROXY-1,11-DIOXO-1,4,4A,5,5A,6,11,12A-OCTAHYDROTETRACENE-2-CARBOXAMIDE minocycline minociclinum minociclina |
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| Definitions |
A tetracycline analogue having a dimethylamino group at position 7 and lacking the methyl and hydroxy groups at position 5. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_50694 |
|
| charge |
0 |
|
| database_cross_reference |
PMID:28709717 PMID:31719236 DrugBank:DB01017 HMDB:HMDB0015152 Patent:WO2008104734 KEGG:D05045 PMID:34636517 PMID:31733348 PMID:33568043 KNApSAcK:C00018686 PDBeChem:MIY PMID:22330257 Patent:US3226436 Drug_Central:1813 PMID:31630007 Beilstein:3077644 Reaxys:3077644 CAS:10118-90-8 LIPID_MAPS_instance:LMPK07000002 KEGG:C07225 Chemspider:16735907 PMID:34232283 |
|
| definition |
A tetracycline analogue having a dimethylamino group at position 7 and lacking the methyl and hydroxy groups at position 5. |
|
| formula |
C23H27N3O7 |
|
| has_alternative_id |
CHEBI:44053 CHEBI:6939 |
|
| has_exact_synonym |
Minocycline (4S,4aS,5aR,12aS)-4,7-bis(dimethylamino)-3,10,12,12a-tetrahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
minomycin 7-Dimethylamino-6-demethyl-6-deoxytetracycline (4S,4AS,5AR,12AS)-4,7-BIS(DIMETHYLAMINO)-3,10,12,12A-TETRAHYDROXY-1,11-DIOXO-1,4,4A,5,5A,6,11,12A-OCTAHYDROTETRACENE-2-CARBOXAMIDE minocycline minociclinum minociclina |
|
| id |
CHEBI:50694 |
|
| in_subset | ||
| inchi |
InChI=1S/C23H27N3O7/c1-25(2)12-5-6-13(27)15-10(12)7-9-8-11-17(26(3)4)19(29)16(22(24)32)21(31)23(11,33)20(30)14(9)18(15)28/h5-6,9,11,17,27,29-30,33H,7-8H2,1-4H3,(H2,24,32)/t9-,11-,17-,23-/m0/s1 |
|
| inchikey |
DYKFCLLONBREIL-KVUCHLLUSA-N |
|
| label |
minocycline |
|
| mass |
457.47650 |
|
| monoisotopicmass |
457.18490 |
|
| notation |
CHEBI:50694 |
|
| smiles |
[H][C@@]12Cc3c(ccc(O)c3C(=O)C1=C(O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@]1([H])C2)N(C)C |
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| subClassOf |