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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:musk xylene
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Accession:CHEBI:77320 term browser browse the term
Definition:A C-nitro compound that is m-xylene bearing three nitro substituents at positions 2, 4 and 6 as well as a tert-butyl group at position 5.
Synonyms:exact_synonym: 1-tert-butyl-3,5-dimethyl-2,4,6-trinitrobenzene
 related_synonym: 1-(1,1-Dimethylethyl)-3,5-dimethyl-2,4,6-trinitrobenzene;   2,4,6-Trinitro-3,5-dimethyl-1-tert-butylbenzene;   2,4,6-Trinitro-5-tert-butyl-m-xylene;   5-tert-Butyl-2,4,6-trinitroxylene;   Formula=C12H15N3O6;   InChI=1S/C12H15N3O6/c1-6-9(13(16)17)7(2)11(15(20)21)8(12(3,4)5)10(6)14(18)19/h1-5H3;   InChIKey=XMWRWTSZNLOZFN-UHFFFAOYSA-N;   SMILES=Cc1c(c(C)c(c(c1[N+]([O-])=O)C(C)(C)C)[N+]([O-])=O)[N+]([O-])=O
 xref: CAS:81-15-2;   KEGG:C19462
 xref_mesh: MESH:C031447
 xref: PMID:23451522;   PMID:23614546;   Reaxys:2015910;   Wikipedia:Musk_xylene


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musk xylene 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
increases activity		 EXP musk xylene results in increased expression of CYP1A1 protein
musk xylene results in increased activity of CYP1A1 protein		 CTD PMID:10630706 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
increases activity		 EXP
ISO		 musk xylene results in increased expression of CYP1A2 protein
musk xylene metabolite results in increased expression of CYP1A2 mRNA; musk xylene results in increased expression of CYP1A2 mRNA
musk xylene results in increased activity of CYP1A2 protein		 CTD PMID:9397191 PMID:10630706 NCBI chr 8:58,075,367...58,082,255
Ensembl chr 8:58,075,367...58,082,312 		JBrowse link
G Cyp2b1 cytochrome P450, family 2, subfamily b, polypeptide 1 increases expression
affects activity
multiple interactions		 ISO
EXP		 musk xylene metabolite results in increased expression of CYP2B1 mRNA; musk xylene results in increased expression of CYP2B1 mRNA
musk xylene affects the activity of CYP2B1 protein
musk xylene inhibits the reaction [Phenobarbital results in increased activity of CYP2B1 protein]
musk xylene results in increased expression of CYP2B1 mRNA; musk xylene results in increased expression of CYP2B1 protein		 CTD PMID:9397191 PMID:9441723 PMID:10630706 NCBI chr 1:81,518,387...81,544,999
Ensembl chr 1:81,518,408...81,542,052 		JBrowse link
G Cyp2b2 cytochrome P450, family 2, subfamily b, polypeptide 2 affects activity
increases expression		 EXP musk xylene affects the activity of CYP2B2 protein
musk xylene results in increased expression of CYP2B2 protein		 CTD PMID:10630706 NCBI chr 1:81,594,534...81,608,567
Ensembl chr 1:81,594,555...81,608,566 		JBrowse link
G Cyp3a2 cytochrome P450, family 3, subfamily a, polypeptide 2 increases activity
increases expression		 EXP musk xylene results in increased activity of CYP3A2 protein
musk xylene results in increased expression of CYP3A2 protein		 CTD PMID:10630706 NCBI chr12:9,207,986...9,230,038
Ensembl chr12:9,015,383...9,285,008 		JBrowse link
G Cyp3a23-3a1 cytochrome P450, family 3, subfamily a, polypeptide 23-polypeptide 1 increases activity
increases expression		 EXP musk xylene results in increased activity of CYP3A23-3A1 protein
musk xylene results in increased expression of CYP3A23-3A1 protein		 CTD PMID:10630706 NCBI chr12:9,256,159...9,285,020
Ensembl chr12:9,254,475...9,285,030 		JBrowse link
Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19812
    role 19784
      application 19615
        fragrance 923
          musk xylene 6
Path 2
Term Annotations click to browse term
  CHEBI ontology 19812
    subatomic particle 19810
      composite particle 19810
        hadron 19810
          baryon 19810
            nucleon 19810
              atomic nucleus 19810
                atom 19810
                  main group element atom 19755
                    main group molecular entity 19755
                      s-block molecular entity 19605
                        hydrogen molecular entity 19595
                          hydrides 19072
                            organic hydride 18667
                              organic fundamental parent 18667
                                hydrocarbon 18414
                                  cyclic hydrocarbon 17223
                                    monocyclic hydrocarbon 6094
                                      annulene 5745
                                        aromatic annulene 5745
                                          benzene 5745
                                            alkylbenzene 3442
                                              methylbenzene 3307
                                                xylene 85
                                                  m-xylene 42
                                                    musk xylene 6
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