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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 8:62,472,087...62,478,122
Ensembl chr 8:62,472,095...62,478,147
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 8:62,451,360...62,458,244
Ensembl chr 8:62,451,329...62,458,301
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 7:99,142,431...99,183,540
Ensembl chr 7:99,142,450...99,181,783
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 1:83,103,925...83,119,578
Ensembl chr 1:83,103,925...83,119,193
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 chr12:11,641,500...11,677,818
Ensembl chr12:11,655,402...11,733,136
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 chr12:11,053,888...11,082,742
Ensembl chr12:11,655,402...11,733,136
JBrowse link

Term paths to the root
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Term Annotations click to browse term
  CHEBI ontology 19816
    role 19764
      application 19426
        fragrance 854
          musk xylene 6
Path 2
Term Annotations click to browse term
  CHEBI ontology 19816
    subatomic particle 19814
      composite particle 19814
        hadron 19814
          baryon 19814
            nucleon 19814
              atomic nucleus 19814
                atom 19814
                  main group element atom 19702
                    main group molecular entity 19702
                      s-block molecular entity 19461
                        hydrogen molecular entity 19452
                          hydrides 18707
                            organic hydride 18269
                              organic fundamental parent 18269
                                hydrocarbon 17988
                                  cyclic hydrocarbon 17075
                                    monocyclic hydrocarbon 5768
                                      annulene 5594
                                        aromatic annulene 5594
                                          benzene 5594
                                            alkylbenzene 3345
                                              methylbenzene 3207
                                                xylene 81
                                                  m-xylene 38
                                                    musk xylene 6
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