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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:LY-221481
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Accession:CHEBI:280152 term browser browse the term
Definition:A pyrazolopyrazole that is 6,7-dihydro-1H,5H-pyrazolo[1,2-a]pyrazole-3-carboxylic acid which has been substituted at positions 2, 5 and 6 by methylsulfonyl, oxo, and amino groups, respectively, and in which the amino group has been condensed with the carboxy group of (2-amino-1,3-thiazol-4-yl)(oxo)acetic acid, the oxo group of which has been converted to the corresponding oxime O-allyl ether.
Synonyms:exact_synonym: (6S)-6-({(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-[(prop-2-en-1-yloxy)imino]acetyl}amino)-2-(methylsulfonyl)-5-oxo-6,7-dihydro-1H,5H-pyrazolo[1,2-a]pyrazole-3-carboxylic acid
 related_synonym: (S)-6-[2-[(Z)-allyloxyimino]-2-(2-aminothiazol-4-yl)-acetylamino]-2-methanesulfonyl-7-oxo-6,7-dihydro-3H,5H-pyrazolo[1,2-a]pyrazole-1-carboxylic acid;   Formula=C16H18N6O7S2;   InChI=1S/C16H18N6O7S2/c1-3-4-29-20-11(9-7-30-16(17)19-9)13(23)18-8-5-21-6-10(31(2,27)28)12(15(25)26)22(21)14(8)24/h3,7-8H,1,4-6H2,2H3,(H2,17,19)(H,18,23)(H,25,26)/b20-11-/t8-/m0/s1;   InChIKey=RIAHBYYSGWWUKY-JGPPEUEWSA-N;   LY221481;   SMILES=CS(=O)(=O)C1=C(N2N(C[C@H](NC(=O)C(=N/OCC=C)\\c3csc(N)n3)C2=O)C1)C(O)=O
 xref: Beilstein:6674867;   PMID:8230112;   Reaxys:6674867


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  CHEBI ontology 19787
    role 19734
      application 19393
        refrigerant 17418
          ammonia 16940
            organic amino compound 16939
              amino acid 14072
                LY-221481 0
Path 2
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  CHEBI ontology 19787
    subatomic particle 19784
      composite particle 19784
        hadron 19784
          baryon 19784
            nucleon 19784
              atomic nucleus 19784
                atom 19784
                  main group element atom 19672
                    p-block element atom 19672
                      carbon group element atom 19574
                        carbon atom 19563
                          organic molecular entity 19563
                            organic group 18495
                              organic divalent group 18488
                                organodiyl group 18488
                                  carbonyl group 18391
                                    carbonyl compound 18391
                                      carboxylic acid 18061
                                        carboacyl group 17348
                                          univalent carboacyl group 17348
                                            carbamoyl group 17134
                                              carboxamide 17134
                                                monocarboxylic acid amide 14553
                                                  LY-221481 0
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