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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 chr19:15,195,514...15,239,827
Ensembl chr19:15,033,108...15,239,821
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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 2:171,104,476...171,196,186
Ensembl chr 2:171,100,140...171,196,395
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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19810
    role 19758
      biological role 19758
        biochemical role 19304
          metabolite 19285
            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 19810
    subatomic particle 19808
      composite particle 19808
        hadron 19808
          baryon 19808
            nucleon 19808
              atomic nucleus 19808
                atom 19808
                  main group element atom 19696
                    p-block element atom 19696
                      carbon group element atom 19599
                        carbon atom 19588
                          organic molecular entity 19588
                            organic group 18527
                              organic divalent group 18520
                                organodiyl group 18520
                                  carbonyl group 18427
                                    carbonyl compound 18427
                                      carboxylic acid 18108
                                        hydroxy carboxylic acid 3606
                                          hydroxy monocarboxylic acid 3606
                                            2-hydroxy monocarboxylic acid 2917
                                              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

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