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Pathogen Host Interaction Phenotype Ontology
Last uploaded:
August 29, 2024
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| Preferred Name | novobiocin | |
| Synonyms |
novobiocina novobiocine novobiocinum 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 Novobiocin |
|
| Definitions |
A coumarin-derived antibiotic obtained from Streptomyces niveus. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_28368 |
|
| bearer of |
http://purl.obolibrary.org/obo/CHEBI_50750 http://purl.obolibrary.org/obo/CHEBI_33282 |
|
| charge |
0
|
|
| database_cross_reference |
CAS:303-81-1 DrugBank:DB01051 PMID:17132020 HMDB:HMDB0015185 PMID:26844397 PMID:9687383 PMID:26926630 Reaxys:1445842 PMID:28246042 PMID:21388139 Patent:WO2012103487 LINCS:LSM-5910 PMID:20325309 Patent:WO2012049521 PMID:19762445 PMID:19282394 KNApSAcK:C00002487 PMID:22897434 PMID:28316592 PDBeChem:NOV KEGG:C05080 PMID:18418407 PMID:27829510 Drug_Central:1974 PMID:27914946
|
|
| formula |
C31H36N2O11
|
|
| has role |
http://purl.obolibrary.org/obo/CHEBI_50750 http://purl.obolibrary.org/obo/CHEBI_33282 |
|
| has_alternative_id |
CHEBI:44505 CHEBI:25597 CHEBI:7644
|
|
| has_exact_synonym |
Novobiocin
|
|
| has_obo_namespace |
chebi_ontology
|
|
| has_related_synonym |
novobiocina novobiocine novobiocinum 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
|
|
| id |
CHEBI:28368
|
|
| 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
|
|
| is_conjugate_acid_of | ||
| label |
novobiocin
|
|
| mass |
612.62430
|
|
| monoisotopicmass |
612.23191
|
|
| notation |
CHEBI:28368
|
|
| prefLabel |
novobiocin
|
|
| 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
|
|
| textual definition |
A coumarin-derived antibiotic obtained from Streptomyces niveus.
|
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_33853 http://purl.obolibrary.org/obo/CHEBI_25698 http://purl.obolibrary.org/obo/CHEBI_35313 http://purl.obolibrary.org/obo/CHEBI_37912 http://purl.obolibrary.org/obo/CHEBI_29347 |
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