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validamycin A(1+) - 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:validamycin A(1+)
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Accession:CHEBI:90869 term browser browse the term
Definition:An ammonium ion resulting from the protonation of the amino group of validamycin A. The major species at pH 7.3.
Synonyms:exact_synonym: (1S,4R,5S,6S)-N-[(1S,2S,3R,4R,5R)-4-(beta-D-glucopyranosyloxy)-2,3-dihydroxy-5-(hydroxymethyl)cyclohexyl]-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-aminium
 related_synonym: Formula=C20H36NO13;   InChI=1S/C20H35NO13/c22-3-6-1-8(12(26)15(29)11(6)25)21-9-2-7(4-23)19(17(31)13(9)27)34-20-18(32)16(30)14(28)10(5-24)33-20/h1,7-32H,2-5H2/p+1/t7-,8+,9+,10-,11-,12+,13+,14-,15+,16+,17-,18-,19-,20+/m1/s1;   InChIKey=JARYYMUOCXVXNK-CSLFJTBJSA-O;   SMILES=[C@@H]1([C@@H]([C@H]([C@H](C=C1CO)[NH2+][C@@H]2[C@@H]([C@H]([C@@H]([C@H](C2)CO)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)O)O)O;   validamycin A
 xref: MetaCyc:VALIDAMYCIN-A;   PMID:18943474;   PMID:20952185;   PMID:22036231;   PMID:22481376;   PMID:22521597;   PMID:23295203;   PMID:23340099;   PMID:25060680;   PMID:25102722;   PMID:25236210;   PMID:3269390;   PMID:3570986;   PMID:5549382;   PMID:6548220;   PMID:9242988;   PMID:9813313
 cyclic_relationship: is_conjugate_acid_of CHEBI:29703

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  CHEBI ontology 20856
    role 20816
      biological role 20814
        antimicrobial agent 18575
          validamycin A(1+) 0
Path 2
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  CHEBI ontology 20856
    subatomic particle 20854
      composite particle 20854
        hadron 20854
          baryon 20854
            nucleon 20854
              atomic nucleus 20854
                atom 20854
                  main group element atom 20777
                    main group molecular entity 20777
                      s-block molecular entity 20573
                        hydrogen molecular entity 20557
                          hydrides 19691
                            inorganic hydride 18601
                              pnictogen hydride 18587
                                nitrogen hydride 18502
                                  ammonium 8464
                                    ammonium ion derivative 8459
                                      validamycin A(1+) 0
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