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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:semustine
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Accession:CHEBI:6863 term browser browse the term
Definition:An organochlorine compound that is urea in which the two hydrogens on one of the amino groups are replaced by nitroso and 2-chloroethyl groups and one hydrogen from the other amino group is replaced by a 4-methylcyclohexyl group.
Synonyms:related_synonym: 1-(2-Chloroethyl)-1-([(4-methylcyclohexyl)amino]carbonyl)-2-oxohydrazine;   1-(2-Chloroethyl)-3-(4-methylcyclohexyl)-1-nitrosourea;   Formula=C10H18ClN3O2;   InChI=1S/C10H18ClN3O2/c1-8-2-4-9(5-3-8)12-10(15)14(13-16)7-6-11/h8-9H,2-7H2,1H3,(H,12,15);   InChIKey=FVLVBPDQNARYJU-UHFFFAOYSA-N;   Methyl-CCNU;   N-(2-Chloroethyl)-N'-(4-methylcyclohexyl)-N-nitrosourea;   SMILES=CC1CCC(CC1)NC(=O)N(CCCl)N=O;   semustina;   semustinum
 xref: CAS:13909-09-6;   KEGG:C07640;   KEGG:D05822;   LINCS:LSM-6714
 xref_mesh: MESH:D012673
 xref: PMID:19537027;   PMID:19782419;   PMID:21698685;   PMID:21807073;   PMID:22381771;   PMID:22385186;   PMID:23224642;   PMID:2329971;   PMID:23570586;   PMID:3941685;   PMID:6217886;   PMID:6353233;   PMID:6708984;   PMID:6953997;   PMID:7032289;   PMID:7083244;   PMID:7306917;   PMID:922750;   Reaxys:2738961;   Wikipedia:Semustine


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semustine term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Birc2 baculoviral IAP repeat-containing 2 decreases response to substance ISO BIRC2 protein results in decreased susceptibility to Semustine CTD PMID:10815900 NCBI chr 8:6,014,014...6,036,668
Ensembl chr 8:6,013,207...6,034,142
JBrowse link
G Slc22a2 solute carrier family 22 member 2 multiple interactions ISO Semustine inhibits the reaction [SLC22A2 protein results in increased uptake of 4-(4-dimethylaminostyryl)-1-methylpyridinium] CTD PMID:21599003 NCBI chr 1:48,318,025...48,360,219
Ensembl chr 1:48,317,995...48,360,261
JBrowse link

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19816
    role 19764
      biological role 19764
        aetiopathogenetic role 18960
          carcinogenic agent 18331
            semustine 2
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
                    p-block element atom 19702
                      carbon group element atom 19608
                        carbon atom 19597
                          organic molecular entity 19597
                            organic group 18537
                              organic divalent group 18530
                                organodiyl group 18530
                                  carbonyl group 18436
                                    carbonyl compound 18436
                                      carboxylic acid 18114
                                        carboacyl group 17372
                                          univalent carboacyl group 17372
                                            carbamoyl group 17158
                                              carboxamide 17158
                                                monocarboxylic acid amide 14569
                                                  urea 4989
                                                    ureas 4987
                                                      N-nitrosoureas 1928
                                                        semustine 2
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