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validoxylamine B - Ontology Report - Rat Genome Database

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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:validoxylamine B
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Accession:CHEBI:141057 term browser browse the term
Definition:An amino cyclitol that is (1S,2S,3R,6S)-6-amino-4-(hydroxymethyl)cyclohex-4-ene-1,2,3-triol in which one of the hydrogens attached to the nitrogen is replaced by a (1R,2S,3R,4R,5S,6S)-2,3,4,6-tetrahydroxy-5-(hydroxymethyl)cyclohexyl group.
Synonyms:exact_synonym: (1S,2S,3R,4S,5R,6S)-4-(hydroxymethyl)-6-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}cyclohexane-1,2,3,5-tetrol
 related_synonym: Formula=C14H25NO9;   InChI=1S/C14H25NO9/c16-2-4-1-6(11(21)13(23)8(4)18)15-7-9(19)5(3-17)10(20)14(24)12(7)22/h1,5-24H,2-3H2/t5-,6-,7-,8+,9+,10+,11-,12-,13-,14-/m0/s1;   InChIKey=OTSKEODGNQKECL-WSRAPPRJSA-N;   SMILES=[C@@H]1([C@@H]([C@@H]([C@H]([C@@H]([C@H]1CO)O)O)O)N[C@@H]2[C@@H]([C@H]([C@@H](C(=C2)CO)O)O)O)O
 xref: CAS:39318-73-5;   PMID:22961651
 cyclic_relationship: is_conjugate_base_of CHEBI:141055

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  CHEBI ontology 19887
    role 19858
      application 19697
        NMR chemical shift reference compound 18070
          ammonia 17868
            organic amino compound 17868
              secondary amino compound 6959
                validoxylamine B 0
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  CHEBI ontology 19887
    subatomic particle 19885
      composite particle 19885
        hadron 19885
          baryon 19885
            nucleon 19885
              atomic nucleus 19885
                atom 19885
                  main group element atom 19824
                    main group molecular entity 19824
                      s-block molecular entity 19658
                        hydrogen molecular entity 19640
                          hydrides 19145
                            inorganic hydride 18162
                              pnictogen hydride 18152
                                nitrogen hydride 18059
                                  azane 17869
                                    ammonia 17868
                                      organic amino compound 17868
                                        secondary amino compound 6959
                                          validoxylamine B 0
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