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Chemical Entities of Biological Interest Ontology
| Preferred Name | ceftriaxone | |
| Synonyms |
rocephin (6R,7R)-7-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3-{[(2-methyl-5,6-dioxo-1,2,5,6-tetrahydro-1,2,4-triazin-3-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid ceftriaxonum ceftriaxona ceftriaxone 7beta-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3-{[(2-methyl-5,6-dioxo-1,2,5,6-tetrahydro-1,2,4-triazin-3-yl)sulfanyl]methyl}-3,4-didehydrocepham-4-carboxylic acid |
|
| Definitions |
A third-generation cephalosporin compound having 2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetylamino and [(2-methyl-5,6-dioxo-1,2,5,6-tetrahydro-1,2,4-triazin-3-yl)sulfanyl]methyl side-groups. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_29007 |
|
| charge |
0
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| database_cross_reference |
PMID:16161754 CAS:73384-59-5 PMID:11432680 PMID:15880392 PMID:19649758 PMID:11760218 KEGG:C06683 PMID:18473104 PMID:11985490 MetaCyc:CPD-12294 PMID:12833570 PMID:15886468 PMID:16118675 PMID:11605716 PMID:16734965 PMID:17592517 PMID:21425867 PMID:11529382 PMID:17173674 PMID:18977704 PMID:17216959 PMID:1384868 PMID:12426628 PMID:17226043 PMID:12797390 PMID:16640341 PMID:16185184 PMID:19625514 PMID:15499067 PMID:11285492 KEGG:D07659 PMID:18676229 PMID:18773080 PMID:15091234 PMID:16082406 PMID:11815759 PMID:15106316 PMID:19008722 PMID:15846537 PMID:11875753 PMID:17347554 DrugBank:DB01212 PMID:18484523 Patent:US4327210 PMID:17367972 PMID:19367098 PMID:19496200 Drug_Central:564 PMID:11431418 Patent:GB2022090 PMID:16602117 PMID:12569987 PMID:29017833 PMID:17129840 PMID:12146884 PMID:19423473 PMID:12830336 PMID:11642230 Wikipedia:Ceftriaxone PMID:11067716 PMID:12868545 PMID:15828439 PMID:12711894 PMID:18246742 PMID:11856984 PMID:18611641 Reaxys:6495519 HMDB:HMDB0015343 PMID:15225244
|
|
| definition |
A third-generation cephalosporin compound having 2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetylamino and [(2-methyl-5,6-dioxo-1,2,5,6-tetrahydro-1,2,4-triazin-3-yl)sulfanyl]methyl side-groups.
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|
| formula |
C18H18N8O7S3
|
|
| has role |
http://purl.obolibrary.org/obo/CHEBI_36047 |
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| has_alternative_id |
CHEBI:23059 CHEBI:446214 CHEBI:3513
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|
| has_exact_synonym |
7beta-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3-{[(2-methyl-5,6-dioxo-1,2,5,6-tetrahydro-1,2,4-triazin-3-yl)sulfanyl]methyl}-3,4-didehydrocepham-4-carboxylic acid
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|
| has_obo_namespace |
chebi_ontology
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| has_related_synonym |
rocephin (6R,7R)-7-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3-{[(2-methyl-5,6-dioxo-1,2,5,6-tetrahydro-1,2,4-triazin-3-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid ceftriaxonum ceftriaxona ceftriaxone
|
|
| id |
CHEBI:29007
|
|
| in_subset | ||
| inchi |
InChI=1S/C18H18N8O7S3/c1-25-18(22-12(28)13(29)23-25)36-4-6-3-34-15-9(14(30)26(15)10(6)16(31)32)21-11(27)8(24-33-2)7-5-35-17(19)20-7/h5,9,15H,3-4H2,1-2H3,(H2,19,20)(H,21,27)(H,23,29)(H,31,32)/b24-8-/t9-,15-/m1/s1
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|
| inchikey |
VAAUVRVFOQPIGI-SPQHTLEESA-N
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|
| is conjugate acid of | ||
| label |
ceftriaxone
|
|
| mass |
554.58000
|
|
| monoisotopicmass |
554.04606
|
|
| notation |
CHEBI:29007
|
|
| prefLabel |
ceftriaxone
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|
| smiles |
[H][C@]12SCC(CSc3nc(=O)c(=O)[nH]n3C)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\c1csc(N)n1)C(O)=O
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|
| treeView |
http://purl.obolibrary.org/obo/CHEBI_23066 http://purl.obolibrary.org/obo/CHEBI_36816 |
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_23066 http://purl.obolibrary.org/obo/CHEBI_36816 |
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