The Drug-Drug Interactions Ontology

Last uploaded: February 11, 2016
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Preferred Name

thimerosal
Synonyms

2-[(ethylmercurio)sulfanyl]benzoic acid

C9H10HgO2S
ID

http://purl.obolibrary.org/obo/dinto_DB02731
CASRN

148-61-8
DBSynonym

emt

[(o-carboxyphenyl)thio]ethylmercury

ethylmercurithiosalicylic acid

2-(ethylmercuri-thio)-benzoic acid
Definition

A topical antiseptic used on skin and mucous membranes. It is also used as a preservative in pharmaceuticals. [PubChem]
InChI

InChI=1S/C7H6O2S.C2H5.Hg/c8-7(9)5-3-1-2-4-6(5)10;1-2;/h1-4,10H,(H,8,9);1H2,2H3;/q;;+1/p-1
InChIKey

InChIKey=HXQVQGWHFRNKMS-UHFFFAOYSA-M
label

thimerosal
prefixIRI

obo2:dinto_DB02731
prefLabel

thimerosal
related with

http://purl.obolibrary.org/obo/dinto_4167

http://purl.obolibrary.org/obo/dinto_1340
SMILES

CC[Hg]SC1=CC=CC=C1C(O)=O
Synonym

2-[(ethylmercurio)sulfanyl]benzoic acid

C9H10HgO2S
xref

PDB:EMT

ChEBI:33214

PubChem Compound:67361

PubChem Substance:46506518

ChemSpider:60691
subClassOf

http://purl.obolibrary.org/obo/dinto_000055
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http://purl.obolibrary.org/obo/CHEBI_9546 CHEBI LOOM
http://purl.obolibrary.org/obo/CHEBI_9546 VO LOOM
http://purl.obolibrary.org/obo/MESH_D013849 BERO LOOM
http://purl.bioontology.org/ontology/NDDF/003125 NDDF LOOM
http://sbmi.uth.tmc.edu/ontology/ochv#12180 OCHV LOOM
http://purl.bioontology.org/ontology/SNOMEDCT/3379001 SNOMEDCT LOOM
http://purl.bioontology.org/ontology/MESH/D013849 MESH LOOM
http://purl.bioontology.org/ontology/SNMI/C-902D2 SNMI LOOM
http://purl.bioontology.org/ontology/RCD/X79FV RCD LOOM
http://phenomebrowser.net/ontologies/mesh/mesh.owl#D02.691.750.100.347.850 RH-MESH LOOM
http://purl.bioontology.org/ontology/VANDF/4017480 VANDF LOOM
http://purl.bioontology.org/ontology/NDFRT/N0000145868 NDFRT LOOM
https://go.drugbank.com/drugs/DB11590 MDM LOOM
http://stirdf.jst.go.jp/id/200907078813740051 IOBC LOOM
http://phenomebrowser.net/ontologies/mesh/mesh.owl#D013849 RH-MESH LOOM
http://purl.obolibrary.org/obo/OMIT_0014698 OMIT LOOM
http://sbmi.uth.tmc.edu/ontology/ochv#C0039867 OCHV LOOM
http://www.phoc.org.cn/pmo/class/PMO_00017268 PMAPP-PMO LOOM
http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl#C47751 NCIT LOOM
http://ontology.apa.org/apaonto/termsonlyOUT%20(5).owl#Thimerosal APAONTO LOOM
http://purl.obolibrary.org/obo/CHEBI_9546 PDRO LOOM
http://purl.obolibrary.org/obo/CHEBI_9546 VICO LOOM
http://purl.obolibrary.org/obo/CHEBI_9546 BERO LOOM
http://purl.obolibrary.org/obo/CHEBI_9546 BIOMODELS LOOM
http://purl.obolibrary.org/obo/CHEBI_9546 DRON LOOM
http://purl.obolibrary.org/obo/CHEBI_9546 OGSF LOOM
http://purl.obolibrary.org/obo/NCIT_C47751 BERO LOOM
http://purl.bioontology.org/ontology/RXNORM/10472 RXNORM LOOM
http://purl.jp/bio/4/id/200906028332580670 IOBC LOOM