Preferred Name

tigecycline

Synonyms

(4S,4aS,5aR,12aS)-9-(2-(tert-butylamino)acetamido)-4,7-bis(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,10,12,12a-tetrahydroxy-1,11-dioxo-2-naphthacenecarboxamide

(4S,4aS,5aR,12aS)-9-[(N-tert-butylglycyl)amino]-4,7-bis(dimethylamino)-3,10,12,12a-tetrahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide

Definitions

Tetracycline in which the hydroxy group at position 5 and the methyl group at position 6 are replaced by hydrogen, and with a dimethylamino substituent and an (N-tert-butylglycyl)amino substituent at positions 7 and 9, respectively. A glycylcycline antibiotic, it has activity against a broad range of Gram-positive and Gram-negative bacteria, including tetracycline-resistant organisms. It is used for the intravenous treatment of complicated skin and skin structure infections caused by susceptible organisms.

ID

http://purl.obolibrary.org/obo/CHEBI_149836

charge

0

database_cross_reference

PMID:17353249

KEGG:C12012

Drug_Central:2661

PMID:17210772

PMID:17353238

KEGG:D01079

DrugBank:DB00560

CAS:220620-09-7

PMID:17194827

PMID:17220399

Reaxys:8379453

PMID:17307973

definition

Tetracycline in which the hydroxy group at position 5 and the methyl group at position 6 are replaced by hydrogen, and with a dimethylamino substituent and an (N-tert-butylglycyl)amino substituent at positions 7 and 9, respectively. A glycylcycline antibiotic, it has activity against a broad range of Gram-positive and Gram-negative bacteria, including tetracycline-resistant organisms. It is used for the intravenous treatment of complicated skin and skin structure infections caused by susceptible organisms.

formula

C29H39N5O8

has role

http://purl.obolibrary.org/obo/CHEBI_36047

has_alternative_id

CHEBI:29696

CHEBI:473970

has_exact_synonym

(4S,4aS,5aR,12aS)-9-[(N-tert-butylglycyl)amino]-4,7-bis(dimethylamino)-3,10,12,12a-tetrahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide

has_obo_namespace

chebi_ontology

has_related_synonym

(4S,4aS,5aR,12aS)-9-(2-(tert-butylamino)acetamido)-4,7-bis(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,10,12,12a-tetrahydroxy-1,11-dioxo-2-naphthacenecarboxamide

id

CHEBI:149836

in_subset

http://purl.obolibrary.org/obo/chebi#3_STAR

inchi

InChI=1S/C29H39N5O8/c1-28(2,3)31-11-17(35)32-15-10-16(33(4)5)13-8-12-9-14-21(34(6)7)24(38)20(27(30)41)26(40)29(14,42)25(39)18(12)23(37)19(13)22(15)36/h10,12,14,21,31,36,38-39,42H,8-9,11H2,1-7H3,(H2,30,41)(H,32,35)/t12-,14-,21-,29-/m0/s1

inchikey

FPZLLRFZJZRHSY-HJYUBDRYSA-N

is conjugate base of

http://purl.obolibrary.org/obo/CHEBI_142708

label

tigecycline

mass

585.64870

monoisotopicmass

585.27986

notation

CHEBI:149836

prefLabel

tigecycline

smiles

[H][C@@]12Cc3c(cc(NC(=O)CNC(C)(C)C)c(O)c3C(=O)C1=C(O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@]1([H])C2)N(C)C

subClassOf

http://purl.obolibrary.org/obo/CHEBI_139592

http://purl.obolibrary.org/obo/CHEBI_26895

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http://purl.bioontology.org/ontology/NDDF/010833 NDDF LOOM
http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl#C72865 NCIT LOOM
http://purl.bioontology.org/ontology/UATC/J01AA12 ATC LOOM
http://purl.obolibrary.org/obo/CHEBI_149836 BIOMODELS LOOM
http://purl.obolibrary.org/obo/CHEBI_149836 BIOMODELS SAME_URI
http://purl.obolibrary.org/obo/CHEBI_149836 DINTO LOOM
http://purl.obolibrary.org/obo/CHEBI_149836 DINTO SAME_URI
http://purl.obolibrary.org/obo/CHEBI_149836 CHEBI LOOM
http://purl.obolibrary.org/obo/CHEBI_149836 CHEBI SAME_URI
http://purl.bioontology.org/ontology/MESH/D000078304 MESH LOOM
http://purl.bioontology.org/ontology/LNC/MTHU019077 LOINC LOOM
http://phenomebrowser.net/ontologies/mesh/mesh.owl#C119092 RH-MESH LOOM
http://purl.obolibrary.org/obo/ARO_0000030 ARO LOOM
http://purl.bioontology.org/ontology/VANDF/4024922 VANDF LOOM
http://purl.bioontology.org/ontology/NDFRT/N0000023105 NDFRT LOOM
http://purl.bioontology.org/ontology/RXNORM/384455 RXNORM LOOM
http://purl.bioontology.org/ontology/LNC/LP36048-4 LOINC LOOM
http://purl.bioontology.org/ontology/PDQ/CDR0000699049 PDQ LOOM
http://purl.bioontology.org/ontology/SNOMEDCT/418313005 SNOMEDCT LOOM
http://purl.obolibrary.org/obo/DRON_00018826 DRON LOOM