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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 19821
    role 19769
      biological role 19769
        aetiopathogenetic role 19044
          carcinogenic agent 18365
            semustine 2
Path 2
Term Annotations click to browse term
  CHEBI ontology 19821
    subatomic particle 19819
      composite particle 19819
        hadron 19819
          baryon 19819
            nucleon 19819
              atomic nucleus 19819
                atom 19819
                  main group element atom 19716
                    p-block element atom 19716
                      carbon group element atom 19640
                        carbon atom 19630
                          organic molecular entity 19630
                            organic group 18737
                              organic divalent group 18728
                                organodiyl group 18728
                                  carbonyl group 18675
                                    carbonyl compound 18675
                                      carboxylic acid 18373
                                        carboacyl group 17485
                                          univalent carboacyl group 17485
                                            carbamoyl group 17299
                                              carboxamide 17299
                                                monocarboxylic acid amide 15008
                                                  urea 5110
                                                    ureas 5108
                                                      N-nitrosoureas 2039
                                                        semustine 2
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