oxytetracycline (CHEBI:27701)

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CHEBI:27701 - oxytetracycline

ChEBI ID	CHEBI:27701
ChEBI Name	oxytetracycline
Stars
Definition	A tetracycline used for treatment of infections caused by a variety of Gram positive and Gram negative microorganisms including Mycoplasma pneumoniae, Pasteurella pestis, Escherichia coli, Haemophilus influenzae (respiratory infections), and Diplococcus pneumoniae.
Secondary ChEBI IDs	CHEBI:7871, CHEBI:25811, CHEBI:521157, CHEBI:596903
Last Modified	19 September 2018
Downloads	Molfile

Formula	C22H24N2O9
Net Charge	0
Average Mass	460.439
Monoisotopic Mass	460.14818
SMILES	[H][C@@]12[C@@H](O)[C@@]3([H])C(=C(O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@H]2N(C)C)C(=O)c1c(O)cccc1[C@@]3(C)O
InChI	InChI=1S/C22H24N2O9/c1-21(32)7-5-4-6-8(25)9(7)15(26)10-12(21)17(28)13-14(24(2)3)16(27)11(20(23)31)19(30)22(13,33)18(10)29/h4-6,12-14,17,25,27-29,32-33H,1-3H3,(H2,23,31)/t12-,13-,14+,17+,21-,22+/m1/s1
InChIKey	IWVCMVBTMGNXQD-PXOLEDIWSA-N

Wikipedia

Species of Metabolite	Component	Source	Comments
Streptomyces rimosus (ncbitaxon:1927)	-	PubMed (1833366)

Roles Classification

Biological Roles:

antibacterial drug A drug used to treat or prevent bacterial infections.

bacterial metabolite Any prokaryotic metabolite produced during a metabolic reaction in bacteria.

protein synthesis inhibitor A compound, usually an anti-bacterial agent or a toxin, which inhibits the synthesis of a protein.

antimicrobial agent A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.

metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.

Applications:

antibacterial drug A drug used to treat or prevent bacterial infections.

anti-inflammatory drug A substance that reduces or suppresses inflammation.

ChEBI Ontology

Outgoing Relation(s)
	oxytetracycline (CHEBI:27701) has role anti-inflammatory drug (CHEBI:35472)
	oxytetracycline (CHEBI:27701) has role antibacterial drug (CHEBI:36047)
	oxytetracycline (CHEBI:27701) has role antimicrobial agent (CHEBI:33281)
	oxytetracycline (CHEBI:27701) has role bacterial metabolite (CHEBI:76969)
	oxytetracycline (CHEBI:27701) has role protein synthesis inhibitor (CHEBI:48001)
	oxytetracycline (CHEBI:27701) is a tetracyclines (CHEBI:26895)
	oxytetracycline (CHEBI:27701) is tautomer of oxytetracycline zwitterion (CHEBI:133011)
Incoming Relation(s)
Incoming Relation(s)	oxytetracycline zwitterion (CHEBI:133011) is tautomer of oxytetracycline (CHEBI:27701)

IUPAC Name
(4S,4aR,5S,5aR,6S,12aS)-4-(dimethylamino)-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide

INNs	Source
oxitetraciclina	ChemIDplus
oxytetracyclinum	ChemIDplus

Synonyms	Source
5-Hydroxytetracycline	ChemIDplus
Oxyterracin	ChemIDplus
Oxyterracine	ChemIDplus
Oxytetracyclin	ChemIDplus
Oxytetracycline amphoteric	ChemIDplus
Oxytetracycline (anhydrous)	ChemIDplus

Manual Xrefs	Databases
2041	DrugCentral
503	VSDB
503	BPDB
C00017127	KNApSAcK
C06624	KEGG COMPOUND
DB00595	DrugBank
HMDB0014733	HMDB
LMPK07000005	LIPID MAPS
oxytetracycline	Alan Wood's Pesticides
Oxytetracycline	Wikipedia

Registry Numbers	Sources
Beilstein:2686362	Beilstein
Reaxys:2714587	Reaxys
Gmelin:623487	Gmelin
CAS:79-57-2	KEGG COMPOUND
CAS:79-57-2	ChemIDplus

Citations