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-)
Accession: CHEBI:5404
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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
G
Cyp1a1
cytochrome P450, family 1, subfamily a, polypeptide 1
increases expression
EXP
glucoerucin 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
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Cyp1a2
cytochrome P450, family 1, subfamily a, polypeptide 2
increases expression
EXP
glucoerucin 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
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Cyp1b1
cytochrome P450, family 1, subfamily b, polypeptide 1
increases expression
EXP
glucoerucin 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
G
Ephx1
epoxide hydrolase 1
increases expression
EXP
glucoerucin 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
G
Nqo1
NAD(P)H quinone dehydrogenase 1
increases activity
EXP
glucoerucin results in increased activity of NQO1 protein
CTD
PMID:20833222
NCBI chr19:35,295,633...35,310,528
Ensembl chr19:35,295,573...35,310,557
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