Submit Data |  Help |  Video Tutorials |  News |  Publications |  FTP 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:jacoline
go back to main search page
Accession:CHEBI:136452 term browser browse the term
Definition:A pyrrolizine alkaloid obtained from senecionine by formal addition of hydrogen peroxide across the ethylidene double bond.
Synonyms:exact_synonym: (3S,5R,6R,14aR,14bR)-3,6-dihydroxy-3-[(1R)-1-hydroxyethyl]-5,6-dimethyl-3,4,5,6,9,11,13,14,14a,14b-decahydro[1,6]dioxacyclododecino[2,3,4-gh]pyrrolizine-2,7-dione
 related_synonym: (15alpha,20R)-12,15,20-Trihydroxy-15,20-dihydrosenecionan-11,16-dione;   Formula=C18H27NO7;   InChI=1S/C18H27NO7/c1-10-8-18(24,11(2)20)16(22)26-13-5-7-19-6-4-12(14(13)19)9-25-15(21)17(10,3)23/h4,10-11,13-14,20,23-24H,5-9H2,1-3H3/t10-,11-,13-,14-,17-,18+/m1/s1;   InChIKey=FMWJEBGSMAOQNN-YLFNNMARSA-N;   SMILES=[C@@]1([C@@H](C)O)(O)C(O[C@H]2[C@@]3(N(CC=C3COC([C@]([C@@H](C1)C)(C)O)=O)CC2)[H])=O
 xref: CAS:480-76-2;   KNApSAcK:C00026209;   Reaxys:56051


show annotations for term's descendants           Sort by:
 

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19875
    role 19825
      biological role 19825
        biochemical role 19360
          metabolite 19341
            alkaloid 5372
              pyrrolizine alkaloid 214
                jacoline 0
                  dehydrojaconine 0
                  jacoline N-oxide 0
                  jaconine + 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19875
    subatomic particle 19873
      composite particle 19873
        hadron 19873
          baryon 19873
            nucleon 19873
              atomic nucleus 19873
                atom 19873
                  main group element atom 19763
                    p-block element atom 19763
                      carbon group element atom 19668
                        carbon atom 19657
                          organic molecular entity 19657
                            organic molecule 19586
                              organic cyclic compound 19395
                                organic heterocyclic compound 18511
                                  organic heteropolycyclic compound 17900
                                    organic heterobicyclic compound 16826
                                      pyrrolizines 384
                                        pyrrolizine alkaloid 214
                                          senecionan 214
                                            senecionine 160
                                              jacoline 0
                                                dehydrojaconine 0
                                                jacoline N-oxide 0
                                                jaconine + 0
paths to the root