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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
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Accession:CHEBI:29703 term browser browse the term
Definition:A member of the class of validamycins that is (1R,2S,3S,4S,6R)-4-amino-6-(hydroxymethyl)cyclohexane-1,2,3-triol in which the hydroxy group at position 1 has been converted to its beta-D-glucoside and in which one of the hydrogens attached to the nitrogen is replaced by a (1R,4R,5R,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl group. It is the major validamycin produced by Streptomyces hygroscopicus.
Synonyms:exact_synonym: (1R,2R,3S,4S,6R)-2,3-dihydroxy-6-(hydroxymethyl)-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}cyclohexyl beta-D-glucopyranoside
 related_synonym: (1S-(1alpha,4alpha,5beta,6alpha))-1,5,6-trideoxy-4-O-beta-D-glucopyranosyl-5-(hydroxymethyl)-1-((4,5,6-trihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-yl)amino)-D-chiro-inositol;   1,5,6-trideoxy-4-O-beta-D-glucopyranosyl-5-(hydroxymethyl)-1-[[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-yl]amino]-D-chiro-inositol;   1L-(1,3,4/2,6)-2,3-dihydroxy-6-hydroxymethyl-4-((1S,4R,5S,6S)-4,5,6-trihydroxy-3-hydroxymethylcyclohex-2-enylamino)cyclohexyl beta-D-glucopyranoside;   D-1,5,6-trideoxy-3-O-beta-D-glucopyranosyl-5-(hydroxymethyl)-1-((4,5,6-trihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-yl)amino)-D-chiroinositol;   Formula=C20H35NO13;   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/t7-,8+,9+,10-,11-,12+,13+,14-,15+,16+,17-,18-,19-,20+/m1/s1;   InChIKey=JARYYMUOCXVXNK-CSLFJTBJSA-N;   SMILES=OC[C@H]1C[C@H](N[C@H]2C=C(CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O;   T-7545-A;   Validacin;   Validamycin;   Valimon;   jinganmycin A
 xref: BPDB:677;   CAS:37248-47-8;   HMDB:HMDB0036592;   KEGG:C12112;   KNApSAcK:C00018797;   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;   Pesticides:validamycin;   Reaxys:5319831;   Wikipedia:Validamycin
 cyclic_relationship: is_conjugate_base_of CHEBI:90869


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  CHEBI ontology 19898
    role 19868
      biological role 19866
        antimicrobial agent 18260
          validamycins 0
            validamycin A 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19898
    subatomic particle 19896
      composite particle 19896
        hadron 19896
          baryon 19896
            nucleon 19896
              atomic nucleus 19896
                atom 19896
                  main group element atom 19835
                    p-block element atom 19835
                      carbon group element atom 19774
                        carbon atom 19771
                          organic molecular entity 19771
                            heteroorganic entity 19528
                              organochalcogen compound 19290
                                organooxygen compound 19206
                                  carbohydrates and carbohydrate derivatives 15297
                                    carbohydrate 15297
                                      monosaccharide 4879
                                        aldose 3234
                                          aldohexose 2886
                                            glucose 2839
                                              D-glucose 2837
                                                D-glucopyranose 1814
                                                  beta-D-glucose 1663
                                                    beta-D-glucoside 1470
                                                      validamycins 0
                                                        validamycin A 0
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