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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:N-Acetyl-b-neuraminic acid
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Accession:CHEBI:168748 term browser browse the term
Synonyms:exact_synonym: 5-acetamido-2-[[5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-hydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid
 related_synonym: Formula=C20H31N4O16P;   InChI=1S/C20H31N4O16P/c1-7(26)22-12-8(27)4-20(18(32)33,39-16(12)13(29)9(28)5-25)40-41(35,36)37-6-10-14(30)15(31)17(38-10)24-3-2-11(21)23-19(24)34/h2-3,8-10,12-17,25,27-31H,4-6H2,1H3,(H,22,26)(H,32,33)(H,35,36)(H2,21,23,34);   InChIKey=TXCIAUNLDRJGJZ-UHFFFAOYSA-N;   SMILES=P(OC1(OC(C(NC(=O)C)C(O)C1)C(O)C(O)CO)C(O)=O)(OCC2OC(N3C=CC(=NC3=O)N)C(O)C2O)(O)=O
 xref: Chemspider:310;   HMDB:HMDB0062695


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Path 1
Term Annotations click to browse term
  CHEBI ontology 21786
    chemical entity 21784
      atom 21772
        nonmetal atom 21668
          nitrogen atom 19452
            nitrogen molecular entity 19452
              nucleobase-containing molecular entity 5444
                nucleotide conjugate 18
                  nucleotide-carbohydrate 16
                    nucleotide-sugar 16
                      pyrimidine nucleotide-sugar 9
                        N-Acetyl-b-neuraminic acid 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 21786
    subatomic particle 21772
      composite particle 21772
        hadron 21772
          baryon 21772
            nucleon 21772
              atomic nucleus 21772
                atom 21772
                  main group element atom 21689
                    p-block element atom 21689
                      chalcogen 20858
                        oxygen atom 20836
                          oxygen molecular entity 20836
                            hydroxides 20255
                              oxoacid 19612
                                pnictogen oxoacid 10880
                                  phosphorus oxoacid 9797
                                    phosphoric acids 8610
                                      phosphoric acid 8610
                                        phosphoric acid derivative 8302
                                          phosphate 8302
                                            organic phosphate 8301
                                              nucleoside phosphate 1721
                                                nucleotide 1720
                                                  nucleotide conjugate 18
                                                    nucleotide-carbohydrate 16
                                                      nucleotide-sugar 16
                                                        pyrimidine nucleotide-sugar 9
                                                          N-Acetyl-b-neuraminic acid 0
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