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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: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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Term Annotations click to browse term
  CHEBI ontology 22210
    chemical entity 22209
      atom 22202
        nonmetal atom 22086
          oxygen atom 21443
            oxygen molecular entity 21443
              organooxygen compound 20847
                acetal 10815
                  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
Path 2
Term Annotations click to browse term
  CHEBI ontology 22210
    subatomic particle 22202
      composite particle 22202
        hadron 22202
          baryon 22202
            nucleon 22202
              atomic nucleus 22202
                atom 22202
                  main group element atom 22136
                    p-block element atom 22136
                      carbon group element atom 21936
                        carbon atom 21861
                          organic molecular entity 21861
                            heteroorganic entity 21517
                              organochalcogen compound 21006
                                organooxygen compound 20847
                                  carbon oxoacid 19634
                                    carboxylic acid 19630
                                      carboacyl group 18294
                                        univalent carboacyl group 18294
                                          carbamoyl group 18107
                                            carboxamide 18107
                                              lactam 8465
                                                beta-lactam 818
                                                  beta-lactam antibiotic 802
                                                    penams 314
                                                      penicillanic acids 314
                                                        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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