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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:apalcillin(1-)
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Accession:CHEBI:51699 term browser browse the term
Definition:A penicillinate anion that has formula C25H22N5O6S.
Synonyms:exact_synonym: 6beta-{(2R)-2-[(4-hydroxy-1,5-naphthyridin-3-yl)carboxamido]-2-phenylacetamido}-2,2-dimethylpenam-3alpha-carboxylate
 related_synonym: (2S,5R,6R)-6-{[(2R)-2-{[(4-hydroxy-1,5-naphthyridin-3-yl)carbonyl]amino}-2-phenylacetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate;   Formula=C25H22N5O6S;   InChI=1S/C25H23N5O6S/c1-25(2)19(24(35)36)30-22(34)17(23(30)37-25)29-21(33)15(12-7-4-3-5-8-12)28-20(32)13-11-27-14-9-6-10-26-16(14)18(13)31/h3-11,15,17,19,23H,1-2H3,(H,27,31)(H,28,32)(H,29,33)(H,35,36)/p-1/t15-,17-,19+,23-/m1/s1;   InChIKey=XMQVYNAURODYCQ-SLFBBCNNSA-M;   SMILES=[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)[C@]([H])(NC(=O)c1cnc2cccnc2c1O)c1ccccc1)C([O-])=O
 cyclic_relationship: is_conjugate_base_of CHEBI:51691



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Path 1
Term Annotations click to browse term
  CHEBI ontology 19834
    chemical entity 19832
      molecular entity 19832
        ion 16697
          anion 16074
            organic anion 3615
              carboxylic acid anion 2480
                monocarboxylic acid anion 1591
                  penicillinate anion 0
                    apalcillin(1-) 0
                      apalcillin potassium 0
                      apalcillin sodium 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19834
    subatomic particle 19832
      composite particle 19832
        hadron 19832
          baryon 19832
            nucleon 19832
              atomic nucleus 19832
                atom 19832
                  main group element atom 19782
                    p-block element atom 19782
                      carbon group element atom 19730
                        carbon atom 19727
                          organic molecular entity 19727
                            organic group 18947
                              organic divalent group 18922
                                organodiyl group 18922
                                  carbonyl group 18879
                                    carbonyl compound 18879
                                      carboxylic acid 18605
                                        carboacyl group 17694
                                          univalent carboacyl group 17694
                                            carbamoyl group 17544
                                              carboxamide 17544
                                                lactam 8387
                                                  beta-lactam 828
                                                    beta-lactam antibiotic 813
                                                      penams 314
                                                        penamcarboxylate 0
                                                          penicillinate anion 0
                                                            apalcillin(1-) 0
                                                              apalcillin potassium 0
                                                              apalcillin sodium 0
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