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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
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Accession:CHEBI:16348 term browser browse the term
Definition:A C-nitro compound that is propanoic acid in which one of the methyl hydrogens has been replaced by a nitro group.
Synonyms:related_synonym: 3-nitropropionic acid;   Bovinocidin;   Formula=C3H5NO4;   InChI=1S/C3H5NO4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6);   InChIKey=WBLZUCOIBUDNBV-UHFFFAOYSA-N;   SMILES=OC(CC[N+]([O-])=O)=O;   beta-Nitropropanoic acid;   beta-Nitropropionic acid
 alt_id: CHEBI:10434;   CHEBI:11864;   CHEBI:1611;   CHEBI:20145;   CHEBI:22852;   CHEBI:39918
 xref: Beilstein:1759889;   CAS:504-88-1;   Gmelin:533092;   KEGG:C05669;   KNApSAcK:C00018684;   LINCS:LSM-6632
 xref_mesh: MESH:C015392
 xref: PDBeChem:3NP;   PMID:11409756;   PMID:11785916;   PMID:14700739;   PMID:16038559;   PMID:16300642;   PMID:16443208;   PMID:16940769;   PMID:17183449;   PMID:17344940;   PMID:17566644;   PMID:19755148;   PMID:19763544;   PMID:19779956;   PMID:25963711;   PMID:26796265;   PMID:26957301;   PMID:27289244;   PMID:27682807;   PMID:27690136;   PMID:27890093;   PMID:28164735;   PMID:28271107;   PMID:8848189
 cyclic_relationship: is_conjugate_acid_of CHEBI:59899;   is_tautomer_of CHEBI:16775


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  CHEBI ontology 494
    role 501
      biological role 494
        aetiopathogenetic role 392
          neurotoxin 356
            3-nitropropanoic acid 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 494
    subatomic particle 494
      composite particle 494
        hadron 501
          baryon 494
            nucleon 494
              atomic nucleus 494
                atom 494
                  main group element atom 487
                    p-block element atom 487
                      carbon group element atom 476
                        carbon atom 482
                          organic molecular entity 475
                            heteroorganic entity 471
                              organochalcogen compound 425
                                organooxygen compound 423
                                  carbon oxoacid 364
                                    carboxylic acid 364
                                      monocarboxylic acid 90
                                        fatty acid 59
                                          saturated fatty acid 50
                                            propionic acid 4
                                              3-nitropropanoic acid 0
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