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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 8:58,096,021...58,102,130
Ensembl chr 8:58,096,077...58,102,125
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 8:58,075,367...58,082,255
Ensembl chr 8:58,075,367...58,082,312
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 6:15,342,312...15,350,886
Ensembl chr 6:15,342,344...15,350,917
JBrowse link
G Ephx1 epoxide hydrolase 1 increases expression EXP glucoraphanin results in increased expression of EPHX1 protein CTD PMID:21132492 NCBI chr13:92,714,315...92,744,124
Ensembl chr13:92,714,315...92,790,235
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 6:95,493,589...95,496,877
Ensembl chr 6:95,493,589...95,496,877
JBrowse link
G Nfe2l2 NFE2 like bZIP transcription factor 2 affects localization ISO glucoraphanin analog affects the localization of NFE2L2 protein CTD PMID:20868228 NCBI chr 3:60,594,239...60,621,785
Ensembl chr 3:60,594,242...60,621,737
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 chr19:35,295,633...35,310,528
Ensembl chr19:35,295,573...35,310,557
JBrowse link

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 20089
    chemical entity 20088
      atom 20058
        nonmetal atom 19979
          sulfur atom 16924
            sulfur molecular entity 16924
              organosulfur compound 16064
                sulfoxide 6492
                  glucoraphanin 7
Path 2
Term Annotations click to browse term
  CHEBI ontology 20089
    subatomic particle 20058
      composite particle 20058
        hadron 20088
          baryon 20088
            nucleon 20088
              atomic nucleus 20088
                atom 20058
                  main group element atom 19960
                    p-block element atom 19990
                      carbon group element atom 19916
                        carbon atom 19909
                          organic molecular entity 19909
                            heteroorganic entity 19591
                              organochalcogen compound 19339
                                organooxygen compound 19273
                                  carbohydrates and carbohydrate derivatives 13952
                                    carbohydrate 13936
                                      monosaccharide 4373
                                        aldose 2715
                                          aldohexose 2358
                                            glucose 2318
                                              D-glucose 2318
                                                D-glucopyranose 1766
                                                  beta-D-glucose 1627
                                                    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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