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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, polypeptide 1 increases expression ISO glucoerucin results in increased expression of CYP1A1 protein CTD PMID:20833222 NCBI chr 9:57,687,928...57,703,824
Ensembl chr 9:57,687,928...57,703,824
JBrowse link
G Cyp1a2 cytochrome P450, family 1, subfamily a, polypeptide 2 increases expression ISO glucoerucin results in increased expression of CYP1A2 protein CTD PMID:20833222 NCBI chr 9:57,676,937...57,683,655
Ensembl chr 9:57,676,937...57,683,703
JBrowse link
G Cyp1b1 cytochrome P450, family 1, subfamily b, polypeptide 1 increases expression ISO glucoerucin results in increased expression of CYP1B1 protein CTD PMID:20833222 NCBI chr17:79,706,940...79,715,061
Ensembl chr17:79,701,537...79,715,061
JBrowse link
G Ephx1 epoxide hydrolase 1, microsomal increases expression ISO glucoerucin results in increased expression of EPHX1 protein CTD PMID:21132492 NCBI chr 1:180,989,556...181,017,569
Ensembl chr 1:180,976,210...181,020,904
JBrowse link
G Nqo1 NAD(P)H dehydrogenase, quinone 1 increases activity ISO glucoerucin results in increased activity of NQO1 protein CTD PMID:20833222 NCBI chr 8:107,388,225...107,403,205
Ensembl chr 8:107,388,225...107,403,206
JBrowse link

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 21747
    role 21725
      biological role 21723
        biochemical role 20974
          metabolite 20923
            eukaryotic metabolite 20775
              plant metabolite 18586
                glucosinolate 5
                  alkylglucosinolate 5
                    butylglucosinolate 5
                      glucoerucin(1-) 5
Path 2
Term Annotations click to browse term
  CHEBI ontology 21747
    subatomic particle 21732
      composite particle 21732
        hadron 21732
          baryon 21732
            nucleon 21732
              atomic nucleus 21732
                atom 21732
                  main group element atom 21649
                    p-block element atom 21649
                      chalcogen 20812
                        oxygen atom 20791
                          oxygen molecular entity 20791
                            oxide 12336
                              oxoanion 9250
                                chalcogen oxoanion 551
                                  sulfur oxoanion 550
                                    glycosinolate 5
                                      glucosinolate 5
                                        alkylglucosinolate 5
                                          thia-alkylglucosinolate 5
                                            omega-[(methylsulfanyl)alkyl]glucosinolate 5
                                              glucoerucin(1-) 5
paths to the root