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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:propetamphos
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Accession:CHEBI:38864 term browser browse the term
Definition:A phosphoramidate ester that has formula C10H20NO4PS.
Synonyms:exact_synonym: propan-2-yl (2E)-3-{[(ethylamino)(methoxy)phosphorothioyl]oxy}but-2-enoate
 related_synonym: (E)-1-Methylethyl 3-(((ethylamino)methoxyphosphinothioyl)oxy)-2-butenoate;   Formula=C10H20NO4PS;   InChI=1S/C10H20NO4PS/c1-6-11-16(17,13-5)15-9(4)7-10(12)14-8(2)3/h7-8H,6H2,1-5H3,(H,11,17)/b9-7+;   InChIKey=BZNDWPRGXNILMS-VQHVLOKHSA-N;   O-methyl O-{1-[(propan-2-yl)oxycarbonyl]prop-1-en-2-yl} ethylamidothiophosphate;   SMILES=CCNP(=S)(OC)O\\C(C)=C\\C(=O)OC(C)C
 xref: Beilstein:1979853;   CAS:31218-83-4;   KEGG:C18669
 xref_mesh: MESH:C035967
 xref: PPDB:549;   VSDB:549


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  CHEBI ontology 0
    role 0
      application 0
        agrochemical 0
          propetamphos 0
Path 2
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  CHEBI ontology 0
    subatomic particle 0
      composite particle 0
        hadron 0
          baryon 0
            nucleon 0
              atomic nucleus 0
                atom 0
                  main group element atom 0
                    p-block element atom 0
                      carbon group element atom 0
                        carbon atom 0
                          organic molecular entity 0
                            heteroorganic entity 0
                              organochalcogen compound 0
                                organooxygen compound 0
                                  carbon oxoacid 0
                                    carboxylic acid 0
                                      monocarboxylic acid 0
                                        fatty acid 0
                                          fatty acid derivative 0
                                            fatty alcohol 0
                                              secondary fatty alcohol 0
                                                propan-2-ol 0
                                                  isopropyl ester 0
                                                    isopropyl 3-hydroxybut-2-enoate 0
                                                      propetamphos 0
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