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validamycin A - 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
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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 19887
    role 19858
      biological role 19856
        antimicrobial agent 18257
          validamycins 0
            validamycin A 0
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    subatomic particle 19885
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                      carbon group element atom 19763
                        carbon atom 19760
                          organic molecular entity 19760
                            heteroorganic entity 19521
                              organochalcogen compound 19282
                                organooxygen compound 19197
                                  carbohydrates and carbohydrate derivatives 15309
                                    carbohydrate 15309
                                      monosaccharide 4881
                                        aldose 3237
                                          aldohexose 2888
                                            glucose 2841
                                              D-glucose 2839
                                                D-glucopyranose 1815
                                                  beta-D-glucose 1663
                                                    beta-D-glucoside 1471
                                                      validamycins 0
                                                        validamycin A 0
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