Send us a Message
Submit Data |  Help |  Video Tutorials |  News |  Publications |  Download |  REST API |  Citing RGD |  Contact   
Search RGD Grant Resources Citing RGD About Us Contact Us
Genes Variants Community Projects QTLs Strains Markers Genome Information Ontologies Cell Lines References Download Submit Data
OntoMate (Literature Search) JBrowse (Genome Browser) Synteny Browser (VCMap) Variant Visualizer Multi-Ontology Enrichment (MOET) Gene-Ortholog Location Finder (GOLF) InterViewer (Protein-Protein Interactions) PhenoMiner (Quatitative Phenotypes) Gene Annotator OLGA (Gene List Generator) AllianceMine GViewer (Genome Viewer)
Aging & Age-Related Disease Cancer & Neoplastic Disease Cardiovascular Disease Coronavirus Disease Developmental Disease Diabetes Hematologic Disease Immune & Inflammatory Disease Infectious Disease Liver Disease Neurological Disease Obesity & Metabolic Syndrome Renal Disease Respiratory Disease Sensory Organ Disease
Find Models   new Genetic Models Autism Models Rat PhenoMiner (Quantitative Phenotypes) Chinchilla PhenoMiner Expected Ranges (Quantitative Phenotype) PhenoMiner Term Comparison Hybrid Rat Diversity Panel Phenotypes Phenotypes in Other Animal Models Animal Husbandry Strain Medical Records Phylogenetics Strain Availability Calendar Rats 101 Submissions Photo Archive
Pathways
Rat Community Forum Directory of Rat Laboratories Video Tutorials News RGD Publications RGD Presentations Archive Nomenclature Guidelines Resource Links Laboratory Resources Employment Resources

CHEBI ONTOLOGY - ANNOTATIONS

The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at http://www.ebi.ac.uk/chebi/. The data is made available under the Creative Commons License (CC BY 3.0, http://creativecommons.org/licenses/by/3.0/). For more information see: Degtyarenko et al. (2008) ChEBI: a database and ontology for chemical entities of biological interest. Nucleic Acids Res. 36, D344–D350.
Term:(S)-warfarin
go back to main search page
Accession:CHEBI:87738 term browser browse the term
Definition:A 4-hydroxy-3-(3-oxo-1-phenylbutyl)-2H-1-benzopyran-2-one that has (S)-configuration (the racemate is warfarin, an anticoagulant drug and rodenticide).
Synonyms:exact_synonym: 4-hydroxy-3-[(1S)-3-oxo-1-phenylbutyl]-2H-1-benzopyran-2-one
 related_synonym: (-)-Warfarin;   (S)-4-Hydroxy-3-(3-oxo-1-phenylbutyl)-2-benzopyrone;   (S)-4-hydroxy-3-(3-oxo-1-phenylbutyl)-2H-chromen-2-one;   4-hydroxy-3-[(1S)-3-oxo-1-phenylbutyl]-2H-chromen-2-one;   Formula=C19H16O4;   InChI=1S/C19H16O4/c1-12(20)11-15(13-7-3-2-4-8-13)17-18(21)14-9-5-6-10-16(14)23-19(17)22/h2-10,15,21H,11H2,1H3/t15-/m0/s1;   InChIKey=PJVWKTKQMONHTI-HNNXBMFYSA-N;   SMILES=C1=CC=CC2=C1C(=C(C(O2)=O)[C@@H](CC(C)=O)C3=CC=CC=C3)O;   levrowarfarin
 alt_id: CHEBI:45816
 xref: CAS:5543-57-7;   DrugBank:DB14055;   KEGG:C20129;   LINCS:LSM-5404;   PDBeChem:SWF;   PMID:21949493;   PMID:22493814;   PMID:24962085;   PMID:26142522;   PMID:26161443;   PMID:29433307;   PMID:32601017;   PMID:32680916;   PMID:33341662;   PMID:33754183;   PMID:34579970;   PMID:35426132;   PMID:35699912;   PMID:35798369;   PMID:36914276;   PMID:37598356;   PMID:7354137;   Reaxys:4298024
 cyclic_relationship: is_conjugate_acid_of CHEBI:87744;   is_enantiomer_of CHEBI:87737

GViewer not supported for the selected species.

show annotations for term's descendants           Sort by:
Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 0
    chemical entity 0
      group 0
        inorganic group 0
          oxo group 0
            organic oxo compound 0
              carbonyl compound 0
                ketone 0
                  methyl ketone 0
                    4-hydroxy-3-(3-oxo-1-phenylbutyl)-1-benzopyran-2-one 0
                      (S)-warfarin 0
                        warfarin 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 0
    subatomic particle 0
      composite particle 0
        hadron 0
          baryon 0
            nucleon 0
              atomic nucleus 0
                atom 0
                  main group element atom 0
                    p-block element atom 0
                      carbon group element atom 0
                        carbon atom 0
                          organic molecular entity 0
                            organic molecule 0
                              organic cyclic compound 0
                                organic heterocyclic compound 0
                                  oxacycle 0
                                    benzopyran 0
                                      1-benzopyran 0
                                        chromenes 0
                                          chromenone 0
                                            coumarins 0
                                              hydroxycoumarin 0
                                                4-hydroxy-3-(3-oxo-1-phenylbutyl)-1-benzopyran-2-one 0
                                                  (S)-warfarin 0
                                                    warfarin 0
paths to the root