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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

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  CHEBI ontology 19812
    role 19761
      application 19471
        fragrance 900
          musk xylene 6
Path 2
Term Annotations click to browse term
  CHEBI ontology 19812
    subatomic particle 19811
      composite particle 19811
        hadron 19811
          baryon 19811
            nucleon 19811
              atomic nucleus 19811
                atom 19811
                  main group element atom 19708
                    main group molecular entity 19708
                      s-block molecular entity 19493
                        hydrogen molecular entity 19488
                          hydrides 18845
                            organic hydride 18354
                              organic fundamental parent 18354
                                hydrocarbon 18065
                                  cyclic hydrocarbon 17077
                                    monocyclic hydrocarbon 5833
                                      annulene 5658
                                        aromatic annulene 5658
                                          benzene 5658
                                            alkylbenzene 3374
                                              methylbenzene 3240
                                                xylene 85
                                                  m-xylene 42
                                                    musk xylene 6
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