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ONTOLOGY REPORT - ANNOTATIONS


Term:ICI D1694
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Accession:CHEBI:5847 term browser browse the term
Definition:A N-acyl-amino acid that has formula C21H22N4O6S.
Synonyms:related_synonym: D-1694;   Formula=C21H22N4O6S;   InChI=1S/C21H22N4O6S/c1-11-22-14-4-3-12(9-13(14)19(28)23-11)10-25(2)17-7-6-16(32-17)20(29)24-15(21(30)31)5-8-18(26)27/h3-4,6-7,9,15H,5,8,10H2,1-2H3,(H,24,29)(H,26,27)(H,30,31)(H,22,23,28)/t15-/m0/s1;   InChIKey=IVTVGDXNLFLDRM-HNNXBMFYSA-N;   Raltitrexed;   SMILES=CN(Cc1ccc2nc(C)[nH]c(=O)c2c1)c1ccc(s1)C(=O)N[C@@H](CCC(O)=O)C(O)=O;   Tomudex;   ZD-1694;   ZD1694
 xref: CAS:112887-68-0 "KEGG COMPOUND";   Drug_Central:2353 "DrugCentral";   HMDB:HMDB0014438;   KEGG:C11372;   KEGG:D01064
 xref_mesh: MESH:C068874
 xref: PDBeChem:D16


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ICI D1694 term browser
Symbol Object Name JBrowse Chr Start Stop Reference
G Anxa2 annexin A2 JBrowse link 8 75,687,134 75,723,589 RGD:6480464
G Fas Fas cell surface death receptor JBrowse link 1 252,589,785 252,624,790 RGD:6480464
G Folr1 folate receptor alpha JBrowse link 1 166,934,457 166,945,864 RGD:6480464
G Fxyd3 FXYD domain-containing ion transport regulator 3 JBrowse link 1 89,502,561 89,510,146 RGD:6480464
G Hspe1 heat shock protein family E (Hsp10) member 1 JBrowse link 9 61,691,246 61,724,948 RGD:6480464
G Sat1 spermidine/spermine N1-acetyl transferase 1 JBrowse link X 43,626,480 43,629,767 RGD:6480464
G Slc19a1 solute carrier family 19 member 1 JBrowse link 20 12,334,675 12,354,517 RGD:6480464
G Slc46a1 solute carrier family 46 member 1 JBrowse link 10 65,728,508 65,741,708 RGD:6480464
G Stat1 signal transducer and activator of transcription 1 JBrowse link 9 54,287,540 54,327,958 RGD:6480464
G Tmsb10 thymosin, beta 10 JBrowse link 4 100,882,216 100,883,303 RGD:6480464
G Tp53 tumor protein p53 JBrowse link 10 56,186,299 56,198,449 RGD:6480464
G Tyms thymidylate synthetase JBrowse link 9 121,918,875 121,931,564 RGD:6480464

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19734
    role 19680
      application 19336
        refrigerant 17097
          ammonia 16696
            organic amino compound 16695
              amino acid 12446
                N-acyl-amino acid 4935
                  ICI D1694 12
Path 2
Term Annotations click to browse term
  CHEBI ontology 19734
    subatomic particle 19730
      composite particle 19730
        hadron 19730
          baryon 19730
            nucleon 19730
              atomic nucleus 19730
                atom 19730
                  main group element atom 19614
                    p-block element atom 19614
                      carbon group element atom 19506
                        carbon atom 19500
                          organic molecular entity 19500
                            organic group 18414
                              organic divalent group 18406
                                organodiyl group 18406
                                  carbonyl group 18295
                                    carbonyl compound 18295
                                      carboxylic acid 17963
                                        carboacyl group 17074
                                          univalent carboacyl group 17074
                                            carbamoyl group 16804
                                              carboxamide 16804
                                                N-acyl-amino acid 4935
                                                  ICI D1694 12
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RGD is funded by grant HL64541 from the National Heart, Lung, and Blood Institute on behalf of the NIH.