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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 19785
    role 19732
      biological role 19732
        aetiopathogenetic role 18936
          carcinogenic agent 18312
            semustine 2
Path 2
Term Annotations click to browse term
  CHEBI ontology 19785
    subatomic particle 19782
      composite particle 19782
        hadron 19782
          baryon 19782
            nucleon 19782
              atomic nucleus 19782
                atom 19782
                  main group element atom 19670
                    p-block element atom 19670
                      carbon group element atom 19572
                        carbon atom 19561
                          organic molecular entity 19561
                            organic group 18493
                              organic divalent group 18486
                                organodiyl group 18486
                                  carbonyl group 18389
                                    carbonyl compound 18389
                                      carboxylic acid 18060
                                        carboacyl group 17346
                                          univalent carboacyl group 17346
                                            carbamoyl group 17132
                                              carboxamide 17132
                                                monocarboxylic acid amide 14551
                                                  urea 4984
                                                    ureas 4982
                                                      N-nitrosoureas 1927
                                                        semustine 2
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