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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 8:4,968,856...4,989,325
Ensembl chr 8:4,968,842...4,988,732
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 1:48,121,061...48,163,268
Ensembl chr 1:48,121,061...48,163,268
JBrowse link

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 20089
    role 20042
      biological role 20011
        aetiopathogenetic role 19302
          carcinogenic agent 18554
            semustine 2
Path 2
Term Annotations click to browse term
  CHEBI ontology 20089
    subatomic particle 20058
      composite particle 20058
        hadron 20088
          baryon 20088
            nucleon 20088
              atomic nucleus 20088
                atom 20058
                  main group element atom 19960
                    p-block element atom 19990
                      carbon group element atom 19916
                        carbon atom 19909
                          organic molecular entity 19909
                            organic group 18988
                              organic divalent group 18950
                                organodiyl group 18974
                                  carbonyl group 18903
                                    carbonyl compound 18925
                                      carboxylic acid 18597
                                        carboacyl group 17730
                                          univalent carboacyl group 17710
                                            carbamoyl group 17550
                                              carboxamide 17570
                                                monocarboxylic acid amide 15534
                                                  urea 5141
                                                    ureas 5134
                                                      N-nitrosoureas 2067
                                                        semustine 2
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