loading...| Preferred Name | anthramycin | |
| Synonyms |
antramicina antramycin antramycinum Ro 5-9000 antramycine (2E)-3-[(11R,11aS)-9,11-dihydroxy-8-methyl-5-oxo-5,10,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-2-yl]prop-2-enamide anthramycin |
|
| Definitions |
A member of the class of pyrrolobenzodiazepines that is (11aS)-5,10,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepine substituted at positions 2, 5, 8, 9 and 11R by a (1E)-3-amino-3-oxoprop-1-en-1-yl, oxo, methyl, hydroxy and hydroxy groups, respectively. It is a natural product isolated from Streptomyces refuineus subsp. thermotolerans. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_40699 |
|
| charge |
0 |
|
| database_cross_reference |
CAS:4803-27-4 PMID:1695729 PMID:3210245 PMID:28373034 PMID:18512205 PMID:17584616 PDBeChem:ANT PMID:6736032 Wikipedia:Anthramycin PMID:17134232 PMID:2720404 PMID:8357813 PMID:354779 PMID:21919439 PMID:2342065 PMID:7672363 PMID:582801 PMID:6928034 PMID:15599 PMID:7947769 KEGG:D02952 PMID:27862776 PMID:2620069 PMID:3973905 MetaCyc:CPD-18441 PMID:5647054 PMID:8343501 |
|
| definition |
A member of the class of pyrrolobenzodiazepines that is (11aS)-5,10,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepine substituted at positions 2, 5, 8, 9 and 11R by a (1E)-3-amino-3-oxoprop-1-en-1-yl, oxo, methyl, hydroxy and hydroxy groups, respectively. It is a natural product isolated from Streptomyces refuineus subsp. thermotolerans. |
|
| formula |
C16H17N3O4 |
|
| has role |
http://purl.obolibrary.org/obo/CHEBI_35610 http://purl.obolibrary.org/obo/CHEBI_22333 http://purl.obolibrary.org/obo/CHEBI_33282 |
|
| has_exact_synonym |
(2E)-3-[(11R,11aS)-9,11-dihydroxy-8-methyl-5-oxo-5,10,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-2-yl]prop-2-enamide anthramycin |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
antramicina antramycin antramycinum Ro 5-9000 antramycine |
|
| id |
CHEBI:40699 |
|
| in_subset | ||
| inchi |
InChI=1S/C16H17N3O4/c1-8-2-4-10-13(14(8)21)18-15(22)11-6-9(3-5-12(17)20)7-19(11)16(10)23/h2-5,7,11,15,18,21-22H,6H2,1H3,(H2,17,20)/b5-3+/t11-,15+/m0/s1 |
|
| inchikey |
VGQOVCHZGQWAOI-YQRHFANHSA-N |
|
| label |
anthramycin |
|
| mass |
315.329 |
|
| monoisotopicmass |
315.12191 |
|
| notation |
CHEBI:40699 |
|
| prefLabel |
anthramycin |
|
| smiles |
[H][C@@]12CC(\C=C\C(N)=O)=CN1C(=O)C1=C(N[C@@H]2O)C(O)=C(C)C=C1 |
|
| treeView |
http://purl.obolibrary.org/obo/CHEBI_51751 http://purl.obolibrary.org/obo/CHEBI_33853 |
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_51751 http://purl.obolibrary.org/obo/CHEBI_33853 |