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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:3-nitropropanoic acid [(2R,3R,4S,5R,6R)-6-hydroxy-3,4,5-tris(3-nitro-1-oxopropoxy)-2-oxanyl]methyl ester
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Accession:CHEBI:92961 term browser browse the term
Definition:An organooxygen compound that has formula C18H24N4O18.
Synonyms:related_synonym: Formula=C18H24N4O18;   InChI=1S/C18H24N4O18/c23-11(1-5-19(28)29)36-9-10-15(38-12(24)2-6-20(30)31)16(39-13(25)3-7-21(32)33)17(18(27)37-10)40-14(26)4-8-22(34)35/h10,15-18,27H,1-9H2/t10-,15-,16+,17-,18-/m1/s1;   InChIKey=JMPKPWBLQUWFHQ-LUAGPVBASA-N;   SMILES=C(C[N+](=O)[O-])C(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)OC(=O)CC[N+](=O)[O-])OC(=O)CC[N+](=O)[O-])OC(=O)CC[N+](=O)[O-]
 xref: LINCS:LSM-3220


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Term Annotations click to browse term
  CHEBI ontology 19844
    chemical entity 19842
      atom 19842
        nonmetal atom 19780
          oxygen atom 19491
            oxygen molecular entity 19523
              organooxygen compound 19167
                3-nitropropanoic acid [(2R,3R,4S,5R,6R)-6-hydroxy-3,4,5-tris(3-nitro-1-oxopropoxy)-2-oxanyl]methyl ester 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19844
    subatomic particle 19842
      composite particle 19842
        hadron 19842
          baryon 19842
            nucleon 19809
              atomic nucleus 19842
                atom 19842
                  main group element atom 19792
                    p-block element atom 19792
                      carbon group element atom 19738
                        carbon atom 19734
                          organic molecular entity 19734
                            heteroorganic entity 19486
                              organochalcogen compound 19249
                                organooxygen compound 19167
                                  carbon oxoacid 18634
                                    carboxylic acid 18631
                                      tetracarboxylic acid 541
                                        3-nitropropanoic acid [(2R,3R,4S,5R,6R)-6-hydroxy-3,4,5-tris(3-nitro-1-oxopropoxy)-2-oxanyl]methyl ester 0
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