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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:glucoerucin(1-)
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Accession:CHEBI:5404 term browser browse the term
Definition:A thia-alkylglucosinolate that has a 4-(methylsulfanyl)butyl side chain attached to the sulfonated oxime group.
Synonyms:exact_synonym: 1-S-[(1Z)-5-(methylsulfanyl)-N-(sulfonatooxy)pentanimidoyl]-1-thio-beta-D-glucopyranose
 related_synonym: 4-methylthiobutylglucosinolate;   Formula=C12H22NO9S3;   Glucoerucin;   InChI=1S/C12H23NO9S3/c1-23-5-3-2-4-8(13-22-25(18,19)20)24-12-11(17)10(16)9(15)7(6-14)21-12/h7,9-12,14-17H,2-6H2,1H3,(H,18,19,20)/p-1/b13-8-/t7-,9-,10+,11-,12+/m1/s1;   InChIKey=GKUMMDFLKGFCKH-AHMUMSBHSA-M;   SMILES=[C@H]1(O[C@@H]([C@@H](O)[C@@H]([C@H]1O)O)CO)S/C(=N\\OS([O-])(=O)=O)/CCCCSC
 xref: Beilstein:3916831;   Beilstein:7727878;   CAS:21973-56-8;   KEGG:C08409
 xref_mesh: MESH:C119493
 xref: PMID:15796582;   PMID:20638746;   PMID:5268204;   Reaxys:3916831;   Reaxys:7727878
 cyclic_relationship: is_conjugate_base_of CHEBI:79325


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glucoerucin(1-) term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G CYP1A1 cytochrome P450 family 1 subfamily A member 1 increases expression ISO glucoerucin results in increased expression of CYP1A1 protein CTD PMID:20833222 NCBI chr15:74,719,542...74,725,528
Ensembl chr15:74,719,542...74,725,536 		JBrowse link
G CYP1A2 cytochrome P450 family 1 subfamily A member 2 increases expression ISO glucoerucin results in increased expression of CYP1A2 protein CTD PMID:20833222 NCBI chr15:74,748,845...74,756,607
Ensembl chr15:74,748,845...74,756,607 		JBrowse link
G CYP1B1 cytochrome P450 family 1 subfamily B member 1 increases expression ISO glucoerucin results in increased expression of CYP1B1 protein CTD PMID:20833222 NCBI chr 2:38,067,509...38,076,151
Ensembl chr 2:38,066,973...38,109,902 		JBrowse link
G EPHX1 epoxide hydrolase 1 increases expression ISO glucoerucin results in increased expression of EPHX1 protein CTD PMID:21132492 NCBI chr 1:225,810,124...225,845,563
Ensembl chr 1:225,810,124...225,845,563 		JBrowse link
G NQO1 NAD(P)H quinone dehydrogenase 1 increases activity ISO glucoerucin results in increased activity of NQO1 protein CTD PMID:20833222 NCBI chr16:69,709,401...69,726,560
Ensembl chr16:69,706,996...69,726,668 		JBrowse link
Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 26447
    role 26279
      biological role 26258
        biochemical role 25464
          metabolite 25398
            eukaryotic metabolite 24861
              plant metabolite 20973
                glucosinolate 5
                  (Z)-glucosinolate(1-) 5
                    glucoerucin(1-) 5
Path 2
Term Annotations click to browse term
  CHEBI ontology 26447
    subatomic particle 26423
      composite particle 26423
        hadron 26423
          baryon 26423
            nucleon 26423
              atomic nucleus 26423
                atom 26423
                  main group element atom 26169
                    p-block element atom 26169
                      chalcogen 25079
                        oxygen atom 24884
                          oxygen molecular entity 24884
                            oxide 13802
                              oxoanion 10871
                                chalcogen oxoanion 725
                                  sulfur oxoanion 723
                                    glycosinolate 5
                                      glucosinolate 5
                                        alkylglucosinolate 5
                                          thia-alkylglucosinolate 5
                                            omega-[(methylsulfanyl)alkyl]glucosinolate 5
                                              glucoerucin(1-) 5
paths to the root