Preferred Name

emtricitabine

Synonyms

4-amino-5-fluoro-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2(1H)-one

EMTRICITABINE

Emtricitabine

(-)-FTC

4-amino-5-fluoro-1-((2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl)pyrimidin-2(1H)-one

(-)-cis-4-amino-5-fluoro-1-(2-hydroxymethyl-1,3-oxathiolan-5-yl)-(1H)-pyrimidin-2-one

(2R-cis)-4-amino-5-fluoro-1-(2-(hydroxymethyl)-1,3-oxathiolan-5-yl)-2(1H)-pyrimidinone

(-)-2'-deoxy-5-fluoro-3'-thiacytidine

5-fluoro-1-((2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl)cytosine

(-)-beta-2',3'-dideoxy-5-fluoro-3'-thiacytidine

(-)-(2R,5S)-5-fluoro-1-[2-(hydroxymethyl)-1,3-oxathiolan-5-yl]cytosine

4-Amino-5-fluoro-1-((2R,5S)-2-hydroxymethyl-[1,3]oxathiolan-5-yl)-1H-pyrimidin-2-one

Definitions

An organofluorine compound that is 5-fluorocytosine substituted at the 1 position by a 2-(hydroxymethyl)-1,3-oxathiolan-5-yl group (2R,5S configuration). It is used in combination therapy for the treatment of HIV-1 infection.

ID

http://purl.obolibrary.org/obo/CHEBI_31536

charge

0

database_cross_reference

Beilstein:5908714

PDBeChem:ETV

KEGG:C12599

PMID:22915463

PMID:17526857

PMID:22917277

DrugBank:DB00879

PMID:25017682

PMID:15249567

PMID:23337366

Drug_Central:1003

CAS:143491-57-0

PMID:15977972

PMID:15588339

Patent:US5538975

Wikipedia:Emtricitabine

PMID:16323102

Patent:WO9214743

PMID:22935078

KEGG:D01199

PMID:16034488

PMID:16401810

PMID:14609348

PMID:15875341

PMID:23361642

PMID:14693538

PMID:15206508

PMID:19493710

PMID:11491420

definition

An organofluorine compound that is 5-fluorocytosine substituted at the 1 position by a 2-(hydroxymethyl)-1,3-oxathiolan-5-yl group (2R,5S configuration). It is used in combination therapy for the treatment of HIV-1 infection.

formula

C8H10FN3O3S

has role

http://purl.obolibrary.org/obo/CHEBI_53756

http://purl.obolibrary.org/obo/CHEBI_36044

has_alternative_id

CHEBI:174911

has_exact_synonym

4-amino-5-fluoro-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2(1H)-one

EMTRICITABINE

Emtricitabine

has_obo_namespace

chebi_ontology

has_related_synonym

(-)-FTC

4-amino-5-fluoro-1-((2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl)pyrimidin-2(1H)-one

(-)-cis-4-amino-5-fluoro-1-(2-hydroxymethyl-1,3-oxathiolan-5-yl)-(1H)-pyrimidin-2-one

(2R-cis)-4-amino-5-fluoro-1-(2-(hydroxymethyl)-1,3-oxathiolan-5-yl)-2(1H)-pyrimidinone

(-)-2'-deoxy-5-fluoro-3'-thiacytidine

5-fluoro-1-((2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl)cytosine

(-)-beta-2',3'-dideoxy-5-fluoro-3'-thiacytidine

(-)-(2R,5S)-5-fluoro-1-[2-(hydroxymethyl)-1,3-oxathiolan-5-yl]cytosine

4-Amino-5-fluoro-1-((2R,5S)-2-hydroxymethyl-[1,3]oxathiolan-5-yl)-1H-pyrimidin-2-one

id

CHEBI:31536

in_subset

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

inchi

InChI=1S/C8H10FN3O3S/c9-4-1-12(8(14)11-7(4)10)5-3-16-6(2-13)15-5/h1,5-6,13H,2-3H2,(H2,10,11,14)/t5-,6+/m0/s1

inchikey

XQSPYNMVSIKCOC-NTSWFWBYSA-N

label

emtricitabine

mass

247.24700

monoisotopicmass

247.04269

notation

CHEBI:31536

prefLabel

emtricitabine

smiles

Nc1nc(=O)n(cc1F)[C@@H]1CS[C@H](CO)O1

treeView

http://purl.obolibrary.org/obo/CHEBI_37143

http://purl.obolibrary.org/obo/CHEBI_59793

http://purl.obolibrary.org/obo/CHEBI_38337

http://purl.obolibrary.org/obo/CHEBI_60783

subClassOf

http://purl.obolibrary.org/obo/CHEBI_37143

http://purl.obolibrary.org/obo/CHEBI_59793

http://purl.obolibrary.org/obo/CHEBI_38337

http://purl.obolibrary.org/obo/CHEBI_60783

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http://purl.obolibrary.org/obo/CHEBI_31536 PDRO SAME_URI
http://purl.obolibrary.org/obo/CHEBI_31536 DINTO SAME_URI
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http://purl.obolibrary.org/obo/CHEBI_31536 HUPSON SAME_URI
http://purl.obolibrary.org/obo/CHEBI_31536 BIOMODELS SAME_URI
http://purl.obolibrary.org/obo/CHEBI_31536 DRON SAME_URI
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http://www.phoc.org.cn/pmo/class/PMO_00018386 PMAPP-PMO LOOM
http://purl.bioontology.org/ontology/VANDF/4021395 VANDF LOOM
http://purl.obolibrary.org/obo/DRON_00020281 ODNAE LOOM
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http://purl.bioontology.org/ontology/ATC/J05AF09 ATC LOOM
http://purl.obolibrary.org/obo/CHEBI_31536 PDRO LOOM
http://purl.obolibrary.org/obo/CHEBI_31536 DINTO LOOM
http://purl.obolibrary.org/obo/CHEBI_31536 COVID-19 LOOM
http://purl.obolibrary.org/obo/CHEBI_31536 BERO LOOM
http://purl.obolibrary.org/obo/CHEBI_31536 BIOMODELS LOOM
http://purl.obolibrary.org/obo/CHEBI_31536 DRON LOOM
http://purl.bioontology.org/ontology/RXNORM/276237 RXNORM LOOM
http://purl.bioontology.org/ontology/LNC/LP35786-0 LOINC LOOM
http://phenomebrowser.net/ontologies/mesh/mesh.owl#C122114 RH-MESH LOOM
http://sbmi.uth.tmc.edu/ontology/ochv#52307 OCHV LOOM
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http://purl.bioontology.org/ontology/NDFRT/N0000148813 NDFRT LOOM
http://purl.bioontology.org/ontology/LNC/MTHU018643 LOINC LOOM
http://purl.bioontology.org/ontology/PDQ/CDR0000540668 PDQ LOOM
http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl#C47509 NCIT LOOM
http://stirdf.jst.go.jp/id/200907055864212424 IOBC LOOM
https://go.drugbank.com/drugs/DB00879 MDM LOOM