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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:sinigrin
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Accession:CHEBI:79317 term browser browse the term
Definition:An alkenylglucosinolic acid that consists of 1-thio-beta-D-glucopyranose having a 4-[(sulfooxy)imino]but-1-en-4-yl group attached to the anomeric sulfur.
Synonyms:exact_synonym: 1-S-[(1Z)-N-(sulfooxy)but-3-enimidoyl]-1-thio-beta-D-glucopyranose
 related_synonym: 2-Propenyl glucosinolate;   Formula=C10H17NO9S2;   InChI=1S/C10H17NO9S2/c1-2-3-6(11-20-22(16,17)18)21-10-9(15)8(14)7(13)5(4-12)19-10/h2,5,7-10,12-15H,1,3-4H2,(H,16,17,18)/b11-6-/t5-,7-,8+,9-,10+/m1/s1;   InChIKey=PHZOWSSBXJXFOR-GLVDENFASA-N;   SMILES=[C@H]1(O[C@@H]([C@@H](O)[C@@H]([C@H]1O)O)CO)S/C(=N\\OS(O)(=O)=O)/CC=C
 xref: CAS:3952-98-5;   CAS:534-69-0;   HMDB:HMDB0034070;   KEGG:C08427;   KNApSAcK:C00001488
 xref_mesh: MESH:C010330
 xref: PMID:23837634;   PMID:24128451;   PMID:24333031;   Reaxys:1440056;   Wikipedia:Sinigrin
 cyclic_relationship: is_conjugate_acid_of CHEBI:9162


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sinigrin term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Akr7a3 aldo-keto reductase family 7 member A3 increases activity EXP sinigrin results in increased activity of AKR7A3 protein CTD PMID:9328168 NCBI chr 5:151,590,968...151,601,394
Ensembl chr 5:151,584,479...151,601,394 		JBrowse link
G Gsta5 glutathione S-transferase alpha 5 increases activity EXP sinigrin results in increased activity of GSTA5 protein CTD PMID:9328168 NCBI chr 8:79,105,561...79,117,472
Ensembl chr 8:79,105,661...79,117,472 		JBrowse link
G Rela RELA proto-oncogene, NF-kB subunit multiple interactions ISO sinigrin inhibits the reaction [TNF protein affects the localization of RELA protein] CTD PMID:28483571 NCBI chr 1:202,925,001...202,935,484
Ensembl chr 1:202,924,945...202,935,484 		JBrowse link
G Tnf tumor necrosis factor multiple interactions ISO sinigrin inhibits the reaction [TNF protein affects the localization of RELA protein]; sinigrin inhibits the reaction [TNF protein results in increased expression of VCAM1 mRNA]; sinigrin inhibits the reaction [TNF protein results in increased expression of VCAM1 protein] CTD PMID:28483571 NCBI chr20:3,622,011...3,624,629
Ensembl chr20:3,622,011...3,624,629 		JBrowse link
G Vcam1 vascular cell adhesion molecule 1 multiple interactions ISO sinigrin inhibits the reaction [TNF protein results in increased expression of VCAM1 mRNA]; sinigrin inhibits the reaction [TNF protein results in increased expression of VCAM1 protein] CTD PMID:28483571 NCBI chr 2:204,038,120...204,057,852
Ensembl chr 2:204,038,114...204,057,958 		JBrowse link
Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19848
    role 19824
      biological role 19822
        epitope 7032
          beta-D-glucose 1659
            1-thio-beta-D-glucopyranose 15
              beta-D-thioglucoside 15
                glucosinolic acid 15
                  alkenylglucosinolic acid 5
                    sinigrin 5
Path 2
Term Annotations click to browse term
  CHEBI ontology 19848
    subatomic particle 19846
      composite particle 19846
        hadron 19846
          baryon 19846
            nucleon 19846
              atomic nucleus 19846
                atom 19846
                  main group element atom 19796
                    p-block element atom 19796
                      carbon group element atom 19741
                        carbon atom 19737
                          organic molecular entity 19737
                            heteroorganic entity 19495
                              organochalcogen compound 19257
                                organooxygen compound 19175
                                  carbohydrates and carbohydrate derivatives 15284
                                    carbohydrate 15284
                                      monosaccharide 4806
                                        aldose 3224
                                          aldohexose 2876
                                            glucose 2830
                                              D-glucose 2828
                                                D-glucopyranose 1809
                                                  beta-D-glucose 1659
                                                    1-thio-beta-D-glucopyranose 15
                                                      beta-D-thioglucoside 15
                                                        desulfoglucosinolic acid 15
                                                          glucosinolic acid 15
                                                            alkenylglucosinolic acid 5
                                                              sinigrin 5
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