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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:ecgonine
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Accession:CHEBI:4743 term browser browse the term
Definition:A tropane alkaloid that consists of tropane bearing carboxy and hydroxy substituents at positions 2 and 3 respectively and having (1R,2R,3S,5S)-configuration. It is both a metabolite of and a precursor to cocaine.
Synonyms:exact_synonym: (1R,2R,3S,5S)-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid
 related_synonym: 1-Ecgonine;   3beta-hydroxy-1alphaH,5alphaH-tropane-2beta-carboxylic acid;   3beta-hydroxy-2beta-tropanecarboxylic acid;   Formula=C9H15NO3;   InChI=1S/C9H15NO3/c1-10-5-2-3-6(10)8(9(12)13)7(11)4-5/h5-8,11H,2-4H2,1H3,(H,12,13)/t5-,6+,7-,8+/m0/s1;   InChIKey=PHMBVCPLDPDESM-FKSUSPILSA-N;   SMILES=[H][C@]12CC[C@]([H])([C@H]([C@@H](O)C1)C(O)=O)N2C;   [1R*-(Exo,exo)]-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid
 xref: CAS:481-37-8;   DrugBank:DB01525;   KEGG:C10858;   KNApSAcK:C00002291;   PMID:11469854;   PMID:20077067;   PMID:22018173;   Reaxys:83293;   Wikipedia:Ecgonine



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ecgonine benzoate term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Ces1d carboxylesterase 1D increases chemical synthesis ISO CES1 protein results in increased chemical synthesis of benzoylecgonine CTD PMID:9311626 NCBI chr19:13,873,490...13,912,035
Ensembl chr19:13,796,623...13,912,035
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ecgonine methyl ester term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Bche butyrylcholinesterase multiple interactions
increases chemical synthesis
increases abundance
ISO [BCHE protein mutant form results in increased hydrolysis of Cocaine] which results in increased abundance of ecgonine methyl ester
[BCHE protein mutant form results in increased metabolism of Cocaine] which results in increased chemical synthesis of ecgonine methyl ester
BCHE protein mutant form results in increased chemical synthesis of ecgonine methyl ester
BCHE protein mutant form results in increased abundance of ecgonine methyl ester
CTD PMID:25814464 PMID:30080993 NCBI chr 2:158,308,674...158,401,148
Ensembl chr 2:158,307,584...158,401,148
JBrowse link

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 20089
    role 20042
      biological role 20011
        biochemical role 19671
          metabolite 19631
            ecgonine 2
              O-benzoylecgonine 5-carboxypentyl ester 0
              ecgonine benzoate 1
              ecgonine methyl ester + 1
              hapten GNL 0
              ioflupane I(123) 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 20089
    subatomic particle 20058
      composite particle 20058
        hadron 20088
          baryon 20088
            nucleon 20088
              atomic nucleus 20088
                atom 20058
                  main group element atom 19960
                    p-block element atom 19990
                      carbon group element atom 19916
                        carbon atom 19909
                          organic molecular entity 19909
                            organic group 18988
                              organic divalent group 18950
                                organodiyl group 18974
                                  carbonyl group 18903
                                    carbonyl compound 18925
                                      carboxylic acid 18597
                                        hydroxy carboxylic acid 3728
                                          hydroxy monocarboxylic acid 3723
                                            2-hydroxy monocarboxylic acid 2993
                                              ecgonine 2
                                                O-benzoylecgonine 5-carboxypentyl ester 0
                                                ecgonine benzoate 1
                                                ecgonine methyl ester + 1
                                                hapten GNL 0
                                                ioflupane I(123) 0
paths to the root