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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...92,744,105
Ensembl chr13:92,714,315...92,790,235
JBrowse link
G Gpx1 glutathione peroxidase 1 decreases expression EXP Glucoraphanin decreases expression of Gpx1 mRNA in the jejunum RGD PMID:23271678 RGD:152998882 NCBI chr 8:109,026,905...109,028,031
Ensembl chr 8:109,026,905...109,028,024
JBrowse link
G Gpx2 glutathione peroxidase 2 increases expression
multiple interactions
increases expression
ISO
EXP
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]
Glucoraphanin increases expression of Gpx2 mRNA in the jejunum
CTD
RGD
PMID:20868228 PMID:23271678 RGD:152998882 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...60,621,712
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 19844
    chemical entity 19842
      atom 19842
        nonmetal atom 19780
          sulfur atom 17710
            sulfur molecular entity 17710
              organosulfur compound 17358
                sulfoxide 6525
                  glucoraphanin 8
Path 2
Term Annotations click to browse term
  CHEBI ontology 19844
    subatomic particle 19842
      composite particle 19842
        hadron 19842
          baryon 19842
            nucleon 19809
              atomic nucleus 19842
                atom 19842
                  main group element atom 19792
                    p-block element atom 19792
                      carbon group element atom 19738
                        carbon atom 19734
                          organic molecular entity 19734
                            heteroorganic entity 19486
                              organochalcogen compound 19249
                                organooxygen compound 19167
                                  carbohydrates and carbohydrate derivatives 15289
                                    carbohydrate 15289
                                      monosaccharide 4807
                                        aldose 3226
                                          aldohexose 2877
                                            glucose 2831
                                              D-glucose 2829
                                                D-glucopyranose 1807
                                                  beta-D-glucose 1660
                                                    1-thio-beta-D-glucopyranose 15
                                                      beta-D-thioglucoside 15
                                                        desulfoglucosinolic acid 15
                                                          glucosinolic acid 15
                                                            alkylglucosinolic acid 8
                                                              thia-alkylglucosinolic acid 8
                                                                glucoerucin 8
                                                                  glucoraphanin 8
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