loading...| Preferred Name |
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|
| Synonyms |
novobiocinum novobiocine N-{7-[(3-O-carbamoyl-6-deoxy-5-methyl-4-O-methyl-beta-D-gulopyranosyl)oxy]-4-hydroxy-8-methyl-2-oxo-2H-chromen-3-yl}-4-hydroxy-3-(3-methylbut-2-en-1-yl)benzamide novobiocina Novobiocin |
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| Definitions |
A coumarin-derived antibiotic obtained from Streptomyces niveus. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_28368 |
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| bearer_of | ||
| charge |
0 |
|
| database_cross_reference |
SNOMEDCT:90220005 MeSH:D009675 NCIt:C705 PMID:20325309 Patent:WO2012103487 PMID:26926630 PMID:22897434 PMID:19282394 PMID:28316592 PMID:21388139 PMID:18418407 Reaxys:1445842 HMDB:HMDB0015185 PDBeChem:NOV PMID:28246042 PMID:27829510 PMID:26844397 CAS:303-81-1 KEGG:C05080 LINCS:LSM-5910 Drug_Central:1974 PMID:9687383 DrugBank:DB01051 PMID:17132020 Patent:WO2012049521 PMID:27914946 PMID:19762445 KNApSAcK:C00002487 |
|
| definition |
A coumarin-derived antibiotic obtained from Streptomyces niveus. |
|
| formula |
C31H36N2O11 |
|
| has_alternative_id |
CHEBI:25597 CHEBI:44505 CHEBI:7644 |
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| has_exact_synonym |
Novobiocin |
|
| has_obo_namespace |
chebi_ontology |
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| has_related_synonym |
novobiocinum novobiocine N-{7-[(3-O-carbamoyl-6-deoxy-5-methyl-4-O-methyl-beta-D-gulopyranosyl)oxy]-4-hydroxy-8-methyl-2-oxo-2H-chromen-3-yl}-4-hydroxy-3-(3-methylbut-2-en-1-yl)benzamide novobiocina |
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| has_role | ||
| id |
CHEBI:28368 |
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| in_subset | ||
| inchi |
InChI=1S/C31H36N2O11/c1-14(2)7-8-16-13-17(9-11-19(16)34)27(37)33-21-22(35)18-10-12-20(15(3)24(18)42-28(21)38)41-29-23(36)25(43-30(32)39)26(40-6)31(4,5)44-29/h7,9-13,23,25-26,29,34-36H,8H2,1-6H3,(H2,32,39)(H,33,37)/t23-,25+,26-,29-/m1/s1 |
|
| inchikey |
YJQPYGGHQPGBLI-KGSXXDOSSA-N |
|
| label |
novobiocin |
|
| mass |
612.62430 |
|
| monoisotopicmass |
612.23191 |
|
| notation |
CHEBI:28368 |
|
| smiles |
CO[C@@H]1[C@@H](OC(N)=O)[C@@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)c4ccc(O)c(CC=C(C)C)c4)c(=O)oc3c2C)OC1(C)C |
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| subClassOf |