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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:jadomycin B
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Accession:CHEBI:31738 term browser browse the term
Definition:A jadomycin that is jadomycin A in which the phenolic hydroxy group at position 12 has been converted to the corresponding 2,6-dideoxy-alpha-L-ribo-hexopyranoside, isolated from Streptomyces venezuelae. It exists as a diastereoisomeric mixture consisting of both 3aS and 3aR isomers.
Synonyms:exact_synonym: (1S)-1-[(2S)-butan-2-yl]-7-hydroxy-5-methyl-2,8,13-trioxo-1,2,8,13-tetrahydro-3aH-benzo[b][1,3]oxazolo[3,2-f]phenanthridin-12-yl 2,6-dideoxy-alpha-L-ribo-hexopyranoside
 related_synonym: Formula=C30H31NO9;   InChI=1S/C30H31NO9/c1-5-13(3)24-30(37)40-29-16-9-12(2)10-17(32)21(16)23-25(31(24)29)28(36)22-15(27(23)35)7-6-8-19(22)39-20-11-18(33)26(34)14(4)38-20/h6-10,13-14,18,20,24,26,29,32-34H,5,11H2,1-4H3/t13-,14-,18+,20-,24-,26-,29?/m0/s1;   InChIKey=BSBSCJRAEMDCHC-LVOPHWFOSA-N;   SMILES=C1=CC(=C2C(=C1)C(C3=C(C2=O)N4C(C5=C3C(=CC(=C5)C)O)(OC([C@@]4([C@H](CC)C)[H])=O)[H])=O)O[C@@H]6O[C@H]([C@@H]([C@@H](C6)O)O)C
 xref: CAS:149633-99-8;   KEGG:C12395;   KNApSAcK:C00016835;   MetaCyc:CPD-12934;   PMID:11932454;   PMID:15070349;   PMID:15776503;   PMID:16468745;   PMID:16568271;   PMID:18723485;   PMID:19075054;   PMID:21565515;   PMID:22714025;   PMID:23670961;   PMID:28904004;   PMID:7764672;   PMID:8514643;   Reaxys:9745667



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Term Annotations click to browse term
  CHEBI ontology 20072
    role 20024
      biological role 20023
        antimicrobial agent 17788
          antibacterial agent 14323
            jadomycin B 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 20072
    subatomic particle 20071
      composite particle 20071
        hadron 20071
          baryon 20071
            nucleon 20071
              atomic nucleus 20071
                atom 20071
                  main group element atom 19971
                    p-block element atom 19971
                      carbon group element atom 19894
                        carbon atom 19887
                          organic molecular entity 19887
                            organic group 18965
                              organic divalent group 18951
                                organodiyl group 18951
                                  carbonyl group 18903
                                    carbonyl compound 18903
                                      ketone 17111
                                        cyclic ketone 15664
                                          quinone 8523
                                            p-quinones 8430
                                              jadomycin A 0
                                                jadomycin B 0
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