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cetrimonium English (Q5065700)

Item Discussion
chemical compound
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Language Label Description Also known as
British English
No label defined
chemical compound

    Statements

    instance of
    Q420401 (Deleted Item)
    0 references
    UNII English
    Z7FF1XKL7A
    1 reference
    stated in
    Unique Ingredient Identifier English
    UNII English
    Z7FF1XKL7A
    language of work or name
    English
    title
    cetrimonium (English)
    retrieved
    18 November 2016
    Reaxys registry number English
    1772803
    1 reference
    stated in
    Q902623 (Deleted Item)
    ChEBI ID
    39561
    language of work or name
    English
    title
    cetyltrimethylammonium ion (English)
    retrieved
    19 October 2016
    ChEMBL ID
    CHEMBL1183605
    1 reference
    stated in
    ChEMBL English
    ChEMBL ID
    CHEMBL1183605
    language of work or name
    English
    title
    CETRIMONIUM (English)
    retrieved
    18 November 2016
    CAS registry number
    6899-10-1
    2 references
    stated in
    Unique Ingredient Identifier English
    UNII English
    Z7FF1XKL7A
    language of work or name
    English
    title
    cetrimonium (English)
    retrieved
    18 November 2016
    InChIKey
    RLGQACBPNDBWTB-UHFFFAOYSA-N
    stated in
    Q18907859 (Deleted Item)
    retrieved
    10 April 2021
    reference URL
    https://commonchemistry.cas.org/detail?cas_rn=6899-10-1
    ChEBI ID
    39561
    mapping relation type English
    exact match English
    1 reference
    stated in
    ChEMBL English
    ChEMBL ID
    CHEMBL1183605
    language of work or name
    English
    title
    CETRIMONIUM (English)
    retrieved
    18 November 2016
    chemical formula
    C₁₉H₄₂N+
    1 reference
    stated in
    Q278487 (Deleted Item)
    PubChem CID
    2681
    language of work or name
    English
    title
    cetrimonium (English)
    retrieved
    18 November 2016
    PubChem CID
    2681
    1 reference
    stated in
    Q278487 (Deleted Item)
    PubChem CID
    2681
    language of work or name
    English
    title
    cetrimonium (English)
    retrieved
    18 November 2016
    InChIKey
    RLGQACBPNDBWTB-UHFFFAOYSA-N
    2 references
    stated in
    Q278487 (Deleted Item)
    PubChem CID
    2681
    language of work or name
    English
    title
    cetrimonium (English)
    retrieved
    18 November 2016
    stated in
    Q98915402 (Deleted Item)
    InChI
    InChI=1S/C19H42N/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4/h5-19H2,1-4H3/q+1
    1 reference
    stated in
    Q278487 (Deleted Item)
    PubChem CID
    2681
    language of work or name
    English
    title
    cetrimonium (English)
    retrieved
    18 November 2016
    SMILES
    CCCCCCCCCCCCCCCC[N+](C)(C)C
    1 reference
    stated in
    Q278487 (Deleted Item)
    PubChem CID
    2681
    language of work or name
    English
    title
    cetrimonium (English)
    retrieved
    18 November 2016
    ChemSpider ID
    2580
    1 reference
    stated in
    ChemSpider
    ChemSpider ID
    2580
    language of work or name
    English
    title
    cetyltrimethylammonium (English)
    retrieved
    18 November 2016
    DrugBank ID English
    01718
    1 reference
    stated in
    Q1122544 (Deleted Item)
    DrugBank ID English
    01718
    language of work or name
    English
    title
    Cetrimonium (English)
    retrieved
    18 November 2016
    PDB structure ID English
    3B00
    1 reference
    stated in
    Q766195 (Deleted Item)
    PDB structure ID English
    3B00
    language of work or name
    English
    title
    3B00 (English)
    retrieved
    19 October 2016
    1KPG
    1 reference
    stated in
    Q766195 (Deleted Item)
    PDB structure ID English
    1KPG
    language of work or name
    English
    title
    1KPG (English)
    retrieved
    19 October 2016
    3HF0
    1 reference
    stated in
    Q766195 (Deleted Item)
    PDB structure ID English
    3HF0
    language of work or name
    English
    title
    3HF0 (English)
    retrieved
    19 October 2016
    1TPY
    1 reference
    stated in
    Q766195 (Deleted Item)
    PDB structure ID English
    1TPY
    language of work or name
    English
    title
    1TPY (English)
    retrieved
    19 October 2016
    3P73
    1 reference
    stated in
    Q766195 (Deleted Item)
    PDB structure ID English
    3P73
    language of work or name
    English
    title
    3P73 (English)
    retrieved
    19 October 2016
    5HXW
    1 reference
    stated in
    Q766195 (Deleted Item)
    PDB structure ID English
    5HXW
    language of work or name
    English
    title
    5HXW (English)
    retrieved
    19 October 2016
    mass
    284.332 http://www.wikidata.org/entity/Q483261
    1 reference
    stated in
    Q278487 (Deleted Item)
    PubChem CID
    2681
    language of work or name
    English
    title
    cetrimonium (English)
    retrieved
    18 November 2016
    RxNorm ID English
    20614
    1 reference
    stated in
    Unique Ingredient Identifier English
    UNII English
    Z7FF1XKL7A
    language of work or name
    English
    title
    cetrimonium (English)
    retrieved
    18 November 2016
    DSSTox substance ID English
    DTXSID3047978
    1 reference
    stated in
    Q28061352 (Deleted Item)
    IEDB Epitope ID English
    159248
    1 reference
    stated in
    Immune Epitope Database and Analysis Resource English
    IEDB Epitope ID English
    159248
    retrieved
    1 March 2022
    PDB ligand ID English
    16A
    0 references
    MeSH
    D000077286
    named as
    Cetrimonium
    0 references
    subject has role
    Q191154 (Deleted Item)
    1 reference
    stated in
    Q199897 (Deleted Item)
    MeSH
    C004322
    retrieved
    15 March 2018
    Q50377188 (Deleted Item)
    1 reference
    stated in
    Q199897 (Deleted Item)
    MeSH
    C004322
    retrieved
    15 March 2018
    Q334637 (Deleted Item)
    1 reference
    stated in
    Q199897 (Deleted Item)
    MeSH
    C004322
    retrieved
    15 March 2018
    BMRB ID English
    bmse000717
    1 reference
    stated in
    Q48814267 (Deleted Item)
    BMRB ID English
    bmse000717
    language of work or name
    English
    ATC code English
    D08AJ02
    0 references
    R02AA17
    0 references
    DSSTOX compound identifier English
    DTXCID8027955
    0 references
    found in taxon
    Q26291301 (Deleted Item)
    1 reference
    stated in
    Q91927571 (Deleted Item)
    DeCS ID
    57587
    0 references
    Freebase ID
    /m/012kzzgt
    0 references
    MeSH Code
    D02.092.877.883.111.500
    0 references
    D02.675.276.190.500
    0 references
    MassBank accession ID English
    MSBNK-Athens_Univ-AU284301
    1 reference
    InChIKey
    RLGQACBPNDBWTB-UHFFFAOYSA-N
    stated in
    Q113696454 (Deleted Item)
    retrieved
    4 September 2022
    based on heuristic
    Q100452164 (Deleted Item)
    MSBNK-Athens_Univ-AU284303
    1 reference
    InChIKey
    RLGQACBPNDBWTB-UHFFFAOYSA-N
    stated in
    Q113696454 (Deleted Item)
    retrieved
    4 September 2022
    based on heuristic
    Q100452164 (Deleted Item)
    MSBNK-Athens_Univ-AU284305
    1 reference
    InChIKey
    RLGQACBPNDBWTB-UHFFFAOYSA-N
    stated in
    Q113696454 (Deleted Item)
    retrieved
    4 September 2022
    based on heuristic
    Q100452164 (Deleted Item)
    MSBNK-Athens_Univ-AU284306
    1 reference
    InChIKey
    RLGQACBPNDBWTB-UHFFFAOYSA-N
    stated in
    Q113696454 (Deleted Item)
    retrieved
    4 September 2022
    based on heuristic
    Q100452164 (Deleted Item)
    MSBNK-Athens_Univ-AU284302
    1 reference
    InChIKey
    RLGQACBPNDBWTB-UHFFFAOYSA-N
    stated in
    Q113696454 (Deleted Item)
    retrieved
    4 September 2022
    based on heuristic
    Q100452164 (Deleted Item)
    MSBNK-Athens_Univ-AU284304
    1 reference
    InChIKey
    RLGQACBPNDBWTB-UHFFFAOYSA-N
    stated in
    Q113696454 (Deleted Item)
    retrieved
    4 September 2022
    based on heuristic
    Q100452164 (Deleted Item)
    P11199 (Deleted Property)
    PD008476 Property P11199 not found, cannot determine the data type to use.
    0 references
     
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