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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:novobiocin
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Accession:CHEBI:28368 term browser browse the term
Definition:A coumarin-derived antibiotic obtained from Streptomyces niveus.
Synonyms:related_synonym: Formula=C31H36N2O11;   InChI=1S/C31H36N2O11/c1-14(2)7-8-16-13-17(9-11-19(16)34)27(37)33-21-22(35)18-10-12-20(15(3)24(18)42-28(21)38)41-29-23(36)25(43-30(32)39)26(40-6)31(4,5)44-29/h7,9-13,23,25-26,29,34-36H,8H2,1-6H3,(H2,32,39)(H,33,37)/t23-,25+,26-,29-/m1/s1;   InChIKey=YJQPYGGHQPGBLI-KGSXXDOSSA-N;   N-{7-[(3-O-carbamoyl-6-deoxy-5-methyl-4-O-methyl-beta-D-gulopyranosyl)oxy]-4-hydroxy-8-methyl-2-oxo-2H-chromen-3-yl}-4-hydroxy-3-(3-methylbut-2-en-1-yl)benzamide;   SMILES=CO[C@@H]1[C@@H](OC(N)=O)[C@@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)c4ccc(O)c(CC=C(C)C)c4)c(=O)oc3c2C)OC1(C)C;   novobiocina;   novobiocine;   novobiocinum
 alt_id: CHEBI:25597;   CHEBI:44505;   CHEBI:7644
 xref: CAS:303-81-1;   DrugBank:DB01051;   Drug_Central:1974;   HMDB:HMDB0015185;   KEGG:C05080;   KNApSAcK:C00002487;   LINCS:LSM-5910
 xref_mesh: MESH:D009675
 xref: PDBeChem:NOV;   PMID:17132020;   PMID:18418407;   PMID:19282394;   PMID:19762445;   PMID:20325309;   PMID:21388139;   PMID:22897434;   PMID:26844397;   PMID:26926630;   PMID:27829510;   PMID:27914946;   PMID:28246042;   PMID:28316592;   PMID:9687383;   Patent:WO2012049521;   Patent:WO2012103487;   Reaxys:1445842
 cyclic_relationship: is_conjugate_acid_of CHEBI:71339


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Path 1
Term Annotations click to browse term
  CHEBI ontology 5082
    role 5047
      biological role 5047
        antimicrobial agent 265
          novobiocin 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 5082
    subatomic particle 5073
      composite particle 5073
        hadron 5073
          baryon 5073
            nucleon 5073
              atomic nucleus 5073
                atom 5073
                  main group element atom 5043
                    p-block element atom 5040
                      carbon group element atom 4958
                        carbon atom 4957
                          organic molecular entity 4957
                            heteroorganic entity 4797
                              organochalcogen compound 4759
                                organooxygen compound 4720
                                  carbon oxoacid 375
                                    carboxylic acid 370
                                      carboacyl group 214
                                        univalent carboacyl group 214
                                          carbamoyl group 211
                                            carboxamide 211
                                              monocarboxylic acid amide 101
                                                novobiocin 0
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