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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 24830
    role 24747
      biological role 24716
        biochemical role 24195
          metabolite 24084
            eukaryotic metabolite 23366
              plant metabolite 19924
                glucosinolate 5
                  alkylglucosinolate 5
                    butylglucosinolate 5
                      glucoerucin(1-) 5
Path 2
Term Annotations click to browse term
  CHEBI ontology 24830
    subatomic particle 24789
      composite particle 24789
        hadron 24789
          baryon 24789
            nucleon 24789
              atomic nucleus 24789
                atom 24789
                  main group element atom 24656
                    p-block element atom 24656
                      chalcogen 23798
                        oxygen atom 23684
                          oxygen molecular entity 23684
                            oxide 12682
                              oxoanion 9372
                                chalcogen oxoanion 602
                                  sulfur oxoanion 601
                                    glycosinolate 5
                                      glucosinolate 5
                                        alkylglucosinolate 5
                                          thia-alkylglucosinolate 5
                                            omega-[(methylsulfanyl)alkyl]glucosinolate 5
                                              glucoerucin(1-) 5
paths to the root