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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:cocaine(1+)
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Accession:CHEBI:60056 term browser browse the term
Definition:The conjugate base of cocaine arising from protonation of the tertiary amino group; major species at pH 7.3.
Synonyms:exact_synonym: (1R,2R,3S,5S)-3-(benzoyloxy)-2-(methoxycarbonyl)-8-methyl-8-azoniabicyclo[3.2.1]octane
 related_synonym: Formula=C17H22NO4;   InChI=1S/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/p+1/t12-,13+,14-,15+/m0/s1;   InChIKey=ZPUCINDJVBIVPJ-LJISPDSOSA-O;   SMILES=[H][C@]12CC[C@]([H])([C@H]([C@H](C1)OC(=O)c1ccccc1)C(=O)OC)[NH+]2C;   cocaine;   cocaine cation
 xref: Gmelin:2542129;   Gmelin:341636
 cyclic_relationship: is_conjugate_acid_of CHEBI:27958


show annotations for term's descendants           Sort by:
cocaine hydrochloride term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Bmal1 basic helix-loop-helix ARNT like 1 decreases expression ISO cocaine hydrochloride decreases expression of Bmal1 mRNA in caudate-putamen RGD PMID:15994025 RGD:405866348 NCBI chr 1:167,331,756...167,430,235
Ensembl chr 1:167,331,633...167,430,231 		JBrowse link
G Clock clock circadian regulator increases expression ISO cocaine hydrochloride increases expression of Clock mRNA in caudate-putamen RGD PMID:15994025 RGD:405866348 NCBI chr14:31,908,542...31,992,673
Ensembl chr14:31,908,566...31,990,400 		JBrowse link
G Cry1 cryptochrome circadian regulator 1 decreases expression
increases expression 		ISO cocaine hydrochloride decreases expression of Cry1 mRNA in caudate-putamen
cocaine hydrochloride increases expression of Cry1 mRNA in hippocampal formation 		RGD PMID:15994025 PMID:15994025 RGD:405866347, RGD:405866347 NCBI chr 7:18,529,823...18,594,092
Ensembl chr 7:18,529,823...18,594,091 		JBrowse link
G Cry2 cryptochrome circadian regulator 2 decreases expression ISO cocaine hydrochloride decreases expression of Cry2 mRNA in caudate-putamen RGD PMID:15994025 RGD:405866347 NCBI chr 3:78,374,995...78,405,001
Ensembl chr 3:78,374,995...78,404,965 		JBrowse link
G Npas2 neuronal PAS domain protein 2 decreases expression ISO cocaine hydrochloride decreases expression of hippocampal formation and caudate-putamen RGD PMID:15994025 RGD:405866347 NCBI chr 9:41,463,361...41,642,322
Ensembl chr 9:41,463,830...41,642,320 		JBrowse link
G Per1 period circadian regulator 1 increases expression ISO cocaine hydrochloride increases expression of Per1 mRNA in hippocampal formation and caudate-putamen RGD PMID:15994025 RGD:405866348 NCBI chr10:53,800,126...53,814,963
Ensembl chr10:53,805,535...53,814,431 		JBrowse link
G Per2 period circadian regulator 2 increases expression
decreases expression 		ISO ocaine hydrochloride increases expression of Per2 mRNA in hippocampal formation
cocaine hydrochloride decreases expression of Per2 mRNA in caudate-putamen		 RGD PMID:15994025 PMID:15994025 RGD:405866348, RGD:405866348 NCBI chr 9:92,007,289...92,049,551
Ensembl chr 9:92,007,296...92,049,459 		JBrowse link
G Per3 period circadian regulator 3 increases expression ISO cocaine hydrochloride increases expression of Per3 mRNA in hippocampal formation and caudate-putamen RGD PMID:15994025 RGD:405866348 NCBI chr 5:161,460,228...161,495,404
Ensembl chr 5:161,459,533...161,495,607 		JBrowse link
Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19921
    role 19893
      biological role 19891
        biochemical role 19598
          cofactor 16592
            ammonium 8324
              ammonium ion derivative 8319
                cocaine(1+) 8
                  cocaine hydrochloride 8
Path 2
Term Annotations click to browse term
  CHEBI ontology 19921
    subatomic particle 19919
      composite particle 19919
        hadron 19919
          baryon 19919
            nucleon 19919
              atomic nucleus 19919
                atom 19919
                  main group element atom 19865
                    p-block element atom 19865
                      carbon group element atom 19804
                        carbon atom 19801
                          organic molecular entity 19801
                            organic molecule 19754
                              organic cyclic compound 19544
                                organic heterocyclic compound 18909
                                  organic heteropolycyclic compound 18316
                                    organic heterobicyclic compound 17252
                                      azabicycloalkane 3469
                                        tropane alkaloid 1576
                                          cocaine(1+) 8
                                            cocaine hydrochloride 8
paths to the root