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Biological and Environmental Research Ontology
Last uploaded:
December 23, 2022
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| Preferred Name | cefmetazole | |
| Synonyms |
(6R,7S)-7-({[(cyanomethyl)sulfanyl]acetyl}amino)-7-methoxy-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid cefmetazole cefmetazolo cefmetazolum 7beta-{[(cyanomethyl)sulfanyl]acetamido}-7alpha-methoxy-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}ceph-3-em-4-carboxylic acid |
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| Definitions |
A second-generation cephalosporin antibiotic having N(1)-methyltetrazol-5-ylthiomethyl, {[(cyanomethyl)sulfanyl]acetyl}amino and methoxy side-groups at positions 3, 7beta and 7alpha respectively of the parent cephem bicyclic structure. |
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| ID |
http://purl.obolibrary.org/obo/CHEBI_3489 |
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| alternative term |
(6R,7S)-7-({[(cyanomethyl)sulfanyl]acetyl}amino)-7-methoxy-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid cefmetazole cefmetazolo cefmetazolum 7beta-{[(cyanomethyl)sulfanyl]acetamido}-7alpha-methoxy-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}ceph-3-em-4-carboxylic acid
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| bearer of | ||
| charge |
0
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| database_cross_reference |
KEGG:D00910 Beilstein:5406306 CAS:56796-20-4 Wikipedia:Cefmetazole KEGG:C08103 DrugBank:DB00274 LINCS:LSM-5594 PMID:29017833 PMID:23140947 PMID:2416589 Drug_Central:539 PMID:10109799 PMID:23705013 PMID:8452349
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|
| definition |
A second-generation cephalosporin antibiotic having N(1)-methyltetrazol-5-ylthiomethyl, {[(cyanomethyl)sulfanyl]acetyl}amino and methoxy side-groups at positions 3, 7beta and 7alpha respectively of the parent cephem bicyclic structure.
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| formula |
C15H17N7O5S3
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| has_exact_synonym |
7beta-{[(cyanomethyl)sulfanyl]acetamido}-7alpha-methoxy-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}ceph-3-em-4-carboxylic acid
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| has_obo_namespace |
chebi_ontology
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| has_related_synonym |
(6R,7S)-7-({[(cyanomethyl)sulfanyl]acetyl}amino)-7-methoxy-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid cefmetazole cefmetazolo cefmetazolum
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| id |
CHEBI:3489
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| in_subset | ||
| inchi |
InChI=1S/C15H17N7O5S3/c1-21-14(18-19-20-21)30-6-8-5-29-13-15(27-2,17-9(23)7-28-4-3-16)12(26)22(13)10(8)11(24)25/h13H,4-7H2,1-2H3,(H,17,23)(H,24,25)/t13-,15+/m1/s1
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| inchikey |
SNBUBQHDYVFSQF-HIFRSBDPSA-N
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| is_conjugate_acid_of | ||
| label |
cefmetazole
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| mass |
471.53400
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| monoisotopicmass |
471.04533
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| notation |
CHEBI:3489
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| prefLabel |
cefmetazole
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| RO_0000087 | ||
| smiles |
[H][C@]12SCC(CSc3nnnn3C)=C(N1C(=O)[C@]2(NC(=O)CSCC#N)OC)C(O)=O
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| subClassOf |
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