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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:glucoraphanin
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Accession:CHEBI:79311 term browser browse the term
Definition:A thia-glucosinolic acid that is glucoerucin in which the sulfur atom of the methyl thioether group has been oxidised to the corresponding sulfoxide.
Synonyms:exact_synonym: 1-S-[(1Z)-5-(methylsulfinyl)-N-(sulfooxy)pentanimidoyl]-1-thio-beta-D-glucopyranose
 related_synonym: 4-Methylsulfinylbutyl glucosinolate;   Formula=C12H23NO10S3;   InChI=1S/C12H23NO10S3/c1-25(18)5-3-2-4-8(13-23-26(19,20)21)24-12-11(17)10(16)9(15)7(6-14)22-12/h7,9-12,14-17H,2-6H2,1H3,(H,19,20,21)/b13-8-/t7-,9-,10+,11-,12+,25?/m1/s1;   InChIKey=GMMLNKINDDUDCF-BYNGITTOSA-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)/CCCCS(C)=O
 xref: CAS:21414-41-5;   HMDB:HMDB0038404;   KEGG:C08419;   KNApSAcK:C00007545
 xref_mesh: MESH:C119494
 xref: PMID:23110644;   PMID:24054222;   PMID:24170324;   Reaxys:8167699;   Wikipedia:Glucoraphanin
 cyclic_relationship: is_conjugate_acid_of CHEBI:5415


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glucoraphanin term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Cyp1a1 cytochrome P450, family 1, subfamily a, polypeptide 1 increases expression EXP glucoraphanin results in increased expression of CYP1A1 protein CTD PMID:20833222 NCBI chr 8:62,472,087...62,478,122
Ensembl chr 8:62,472,095...62,478,147
JBrowse link
G Cyp1a2 cytochrome P450, family 1, subfamily a, polypeptide 2 increases expression EXP glucoraphanin results in increased expression of CYP1A2 protein CTD PMID:20833222 NCBI chr 8:62,451,360...62,458,244
Ensembl chr 8:62,451,329...62,458,301
JBrowse link
G Cyp1b1 cytochrome P450, family 1, subfamily b, polypeptide 1 increases expression EXP glucoraphanin results in increased expression of CYP1B1 protein CTD PMID:20833222 NCBI chr 6:2,308,179...2,316,739
Ensembl chr 6:2,307,808...2,316,722
JBrowse link
G Ephx1 epoxide hydrolase 1 increases expression EXP glucoraphanin results in increased expression of EPHX1 protein CTD PMID:21132492 NCBI chr13:99,271,390...99,300,580
Ensembl chr13:99,271,366...99,300,579
JBrowse link
G Gpx2 glutathione peroxidase 2 increases expression
multiple interactions
ISO glucoraphanin analog results in increased expression of GPX2 mRNA; glucoraphanin analog results in increased expression of GPX2 protein
Benzo(a)pyrene inhibits the reaction [glucoraphanin results in increased expression of GPX2 mRNA]; glucobrassicin analog inhibits the reaction [glucoraphanin analog results in increased expression of GPX2 mRNA]
CTD PMID:20868228 NCBI chr 6:99,839,960...99,843,245
Ensembl chr 6:99,839,960...99,843,245
JBrowse link
G Nfe2l2 nuclear factor, erythroid 2-like 2 affects localization ISO glucoraphanin analog affects the localization of NFE2L2 protein CTD PMID:20868228 NCBI chr 3:62,497,568...62,525,146
Ensembl chr 3:62,497,571...62,524,996
JBrowse link
G Nqo1 NAD(P)H quinone dehydrogenase 1 multiple interactions
increases activity
ISO
EXP
glucobrassicin analog inhibits the reaction [glucoraphanin results in increased activity of NQO1 protein]
glucoraphanin analog results in increased activity of NQO1 protein
CTD PMID:20833222 PMID:20868228 NCBI chr19:38,422,210...38,437,103
Ensembl chr19:38,422,164...38,437,180
JBrowse link

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19786
    chemical entity 19786
      atom 19784
        nonmetal atom 19666
          sulfur atom 16392
            sulfur molecular entity 16392
              organosulfur compound 15275
                sulfoxide 3752
                  glucoraphanin 7
Path 2
Term Annotations click to browse term
  CHEBI ontology 19786
    subatomic particle 19784
      composite particle 19784
        hadron 19784
          baryon 19784
            nucleon 19784
              atomic nucleus 19784
                atom 19784
                  main group element atom 19675
                    p-block element atom 19675
                      carbon group element atom 19596
                        carbon atom 19586
                          organic molecular entity 19586
                            heteroorganic entity 19226
                              organochalcogen compound 18983
                                organooxygen compound 18915
                                  carbohydrates and carbohydrate derivatives 12342
                                    carbohydrate 12342
                                      monosaccharide 4294
                                        aldose 2668
                                          aldohexose 2308
                                            glucose 2271
                                              D-glucose 2271
                                                D-glucopyranose 1739
                                                  beta-D-glucose 1605
                                                    1-thio-beta-D-glucopyranose 14
                                                      beta-D-thioglucoside 14
                                                        desulfoglucosinolic acid 14
                                                          glucosinolic acid 14
                                                            alkylglucosinolic acid 7
                                                              thia-alkylglucosinolic acid 7
                                                                glucoerucin 7
                                                                  glucoraphanin 7
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