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ONTOLOGY REPORT - ANNOTATIONS


Term:2,2-dimethylpropanoyloxymethyl (2S,5S,6R)-6-(azepan-1-ylmethylideneamino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
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Accession:CHEBI:94655 term browser browse the term
Definition:An alpha-amino acid ester that has formula C21H33N3O5S.
Synonyms:related_synonym: Formula=C21H33N3O5S;   InChI=1S/C21H33N3O5S/c1-20(2,3)19(27)29-13-28-18(26)15-21(4,5)30-17-14(16(25)24(15)17)22-12-23-10-8-6-7-9-11-23/h12,14-15,17H,6-11,13H2,1-5H3/t14-,15+,17+/m1/s1;   InChIKey=NPGNOVNWUSPMDP-VYDXJSESSA-N;   SMILES=CC1([C@@H](N2[C@@H](S1)[C@@H](C2=O)N=CN3CCCCCC3)C(=O)OCOC(=O)C(C)(C)C)C
 xref: LINCS:LSM-5651


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  CHEBI ontology 19790
    chemical entity 19789
      atom 19788
        nonmetal atom 19662
          oxygen atom 19339
            oxygen molecular entity 19339
              organooxygen compound 18776
                acetal 4569
                  pivaloyloxymethyl ester 0
                    2,2-dimethylpropanoyloxymethyl (2S,5S,6R)-6-(azepan-1-ylmethylideneamino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate 0
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Term Annotations click to browse term
  CHEBI ontology 19790
    subatomic particle 19788
      composite particle 19788
        hadron 19788
          baryon 19788
            nucleon 19788
              atomic nucleus 19788
                atom 19788
                  main group element atom 19674
                    p-block element atom 19674
                      carbon group element atom 19572
                        carbon atom 19561
                          organic molecular entity 19561
                            organic group 18475
                              organic divalent group 18468
                                organodiyl group 18468
                                  carbonyl group 18366
                                    carbonyl compound 18366
                                      carboxylic acid 18034
                                        carboacyl group 17190
                                          univalent carboacyl group 17190
                                            carbamoyl group 16928
                                              carboxamide 16928
                                                lactam 7829
                                                  beta-lactam 792
                                                    beta-lactam antibiotic 780
                                                      penams 261
                                                        penicillanic acids 261
                                                          penicillanic acid ester 0
                                                            2,2-dimethylpropanoyloxymethyl (2S,5S,6R)-6-(azepan-1-ylmethylideneamino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate 0
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RGD is funded by grant HL64541 from the National Heart, Lung, and Blood Institute on behalf of the NIH.