Send us a Message



Submit Data |  Help |  Video Tutorials |  News |  Publications |  Download |  REST API |  Citing RGD |  Contact   

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 A
go back to main search page
Accession:CHEBI:81887 term browser browse the term
Definition:A organic heteropentacyclic compound that is 1,2,8,13-tetrahydro-3aH-benzo[b][1,3]oxazolo[3,2-f]phenanthridine which carries oxo groups at positions 2, 8 and 13, methyl group at position 5, hydroxy groups at positions 7 and 12, and a (2R)-butan-2-yl group at position 1. It is a mixture of epimers at the hemiaminal carbon (position 3a).
Synonyms:exact_synonym: (1S)-1-[(2S)-butan-2-yl]-7,12-dihydroxy-5-methyl-3aH-benzo[b][1,3]oxazolo[3,2-f]phenanthridine-2,8,13(1H)-trione
 related_synonym: Formula=C24H21NO6;   InChI=1S/C24H21NO6/c1-4-11(3)19-24(30)31-23-13-8-10(2)9-15(27)16(13)18-20(25(19)23)22(29)17-12(21(18)28)6-5-7-14(17)26/h5-9,11,19,23,26-27H,4H2,1-3H3/t11-,19-,23?/m0/s1;   InChIKey=AVMSKCRHMKXYOO-ZSISJILLSA-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;   jadomycin B aglycon;   jadomycin B aglycone
 xref: KEGG:C18680;   MetaCyc:CPD-12938;   PMID:15070349;   PMID:15776503;   PMID:16468745;   PMID:23177193;   PMID:23670961;   PMID:24112541;   Reaxys:10732142



show annotations for term's descendants           Sort by:
 

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 20057
    chemical entity 20068
      molecular entity 20056
        polyatomic entity 19987
          heteroatomic molecular entity 19923
            hydroxides 19434
              organic hydroxy compound 19001
                phenols 18667
                  polyphenol 9167
                    jadomycin A 0
                      jadomycin B 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 20057
    subatomic particle 20056
      composite particle 20068
        hadron 20056
          baryon 20056
            nucleon 20056
              atomic nucleus 20056
                atom 20056
                  main group element atom 19971
                    p-block element atom 19971
                      carbon group element atom 19889
                        carbon atom 19894
                          organic molecular entity 19882
                            organic group 18982
                              organic divalent group 18968
                                organodiyl group 18968
                                  carbonyl group 18923
                                    carbonyl compound 18923
                                      ketone 17102
                                        cyclic ketone 15673
                                          quinone 8521
                                            p-quinones 8431
                                              jadomycin A 0
                                                jadomycin B 0
paths to the root