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tauroursodeoxycholic acid English (Q7688907)

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

    Statements

    instance of
    chemical compound
    0 references
    pharmaceutical drug
    1 reference
    stated in
    Q1122544 (Deleted Item)
    DrugBank ID English
    08834
    language of work or name
    English
    title
    Tauroursodeoxycholic acid (English)
    publication date
    17 November 2015
    Q143623 (Deleted Item)
    2 references
    stated in
    Q20968889 (Deleted Item)
    retrieved
    31 July 2019
    CAS registry number
    14605-22-2
    2 references
    stated in
    Q902623 (Deleted Item)
    ChEBI ID
    80774
    language of work or name
    English
    title
    tauroursodeoxycholic acid (English)
    retrieved
    19 October 2016
    InChIKey
    BHTRKEVKTKCXOH-LBSADWJPSA-N
    stated in
    Q18907859 (Deleted Item)
    retrieved
    9 April 2021
    reference URL
    https://commonchemistry.cas.org/detail?cas_rn=14605-22-2
    PubChem CID
    9848818
    1 reference
    stated in
    Q278487 (Deleted Item)
    PubChem CID
    9848818
    language of work or name
    English
    title
    Tauroursodeoxycholic acid (English)
    retrieved
    19 October 2016
    chemical formula
    C₂₆H₄₅NO₆S
    1 reference
    stated in
    Q278487 (Deleted Item)
    PubChem CID
    9848818
    language of work or name
    English
    title
    Tauroursodeoxycholic acid (English)
    retrieved
    19 October 2016
    ChemSpider ID
    8024531
    1 reference
    stated in
    ChemSpider
    ChemSpider ID
    8024531
    language of work or name
    English
    title
    Tauroursodeoxycholic acid (English)
    retrieved
    19 October 2016
    ChEMBL ID
    CHEMBL272427
    1 reference
    stated in
    ChEMBL English
    ChEMBL ID
    CHEMBL272427
    language of work or name
    English
    title
    TAUROURSODEOXYCHOLATE (English)
    retrieved
    19 October 2016
    UNII English
    60EUX8MN5X
    1 reference
    stated in
    Unique Ingredient Identifier English
    UNII English
    60EUX8MN5X
    language of work or name
    English
    title
    tauroursodeoxycholic acid (English)
    retrieved
    19 October 2016
    DrugBank ID English
    08834
    1 reference
    stated in
    Q1122544 (Deleted Item)
    DrugBank ID English
    08834
    language of work or name
    English
    title
    Tauroursodeoxycholic acid (English)
    retrieved
    19 October 2016
    KEGG ID English
    C16868
    1 reference
    stated in
    Q902623 (Deleted Item)
    ChEBI ID
    80774
    language of work or name
    English
    title
    tauroursodeoxycholic acid (English)
    retrieved
    19 October 2016
    InChIKey
    BHTRKEVKTKCXOH-LBSADWJPSA-N
    2 references
    stated in
    Q278487 (Deleted Item)
    PubChem CID
    9848818
    language of work or name
    English
    title
    Tauroursodeoxycholic acid (English)
    retrieved
    19 October 2016
    stated in
    Q98915402 (Deleted Item)
    Guide to Pharmacology Ligand ID English
    4746
    1 reference
    stated in
    Q17091219 (Deleted Item)
    Guide to Pharmacology Ligand ID English
    4746
    language of work or name
    English
    title
    tauroursodeoxycholic acid (English)
    retrieved
    19 October 2016
    InChI
    InChI=1S/C26H45NO6S/c1-16(4-7-23(30)27-12-13-34(31,32)33)19-5-6-20-24-21(9-11-26(19,20)3)25(2)10-8-18(28)14-17(25)15-22(24)29/h16-22,24,28-29H,4-15H2,1-3H3,(H,27,30)(H,31,32,33)/t16-,17+,18-,19-,20+,21+,22+,24+,25+,26-/m1/s1
    1 reference
    stated in
    Q278487 (Deleted Item)
    PubChem CID
    9848818
    language of work or name
    English
    title
    Tauroursodeoxycholic acid (English)
    retrieved
    19 October 2016
    ChEBI ID
    80774
    mapping relation type English
    exact match English
    1 reference
    stated in
    Q902623 (Deleted Item)
    ChEBI ID
    80774
    language of work or name
    English
    title
    tauroursodeoxycholic acid (English)
    retrieved
    19 October 2016
    isomeric SMILES
    C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C
    1 reference
    stated in
    Q278487 (Deleted Item)
    PubChem CID
    9848818
    language of work or name
    English
    title
    Tauroursodeoxycholic acid (English)
    retrieved
    19 October 2016
    SMILES
    CC(CCC(=O)NCCS(=O)(=O)O)C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)O)C)O)C
    1 reference
    stated in
    Q278487 (Deleted Item)
    PubChem CID
    9848818
    language of work or name
    English
    title
    Tauroursodeoxycholic acid (English)
    retrieved
    19 October 2016
    Reaxys registry number English
    3228312
    1 reference
    stated in
    Q902623 (Deleted Item)
    ChEBI ID
    80774
    language of work or name
    English
    title
    tauroursodeoxycholic acid (English)
    retrieved
    19 October 2016
    mass
    499.297±0 http://www.wikidata.org/entity/Q483261
    1 reference
    stated in
    Q278487 (Deleted Item)
    PubChem CID
    9848818
    language of work or name
    English
    title
    Tauroursodeoxycholic acid (English)
    retrieved
    19 October 2016
    PDB structure ID English
    5DLV
    1 reference
    stated in
    Q766195 (Deleted Item)
    PDB structure ID English
    5DLV
    language of work or name
    English
    title
    5DLV (English)
    retrieved
    19 October 2016
    5DLW
    1 reference
    stated in
    Q766195 (Deleted Item)
    PDB structure ID English
    5DLW
    language of work or name
    English
    title
    5DLW (English)
    retrieved
    19 October 2016
    MeSH
    C031655
    1 reference
    stated in
    Q199897 (Deleted Item)
    MeSH
    C031655
    retrieved
    14 March 2018
    subject has role
    Q40207875 (Deleted Item)
    1 reference
    stated in
    Q199897 (Deleted Item)
    MeSH
    C031655
    retrieved
    15 March 2018
    Q50429922 (Deleted Item)
    1 reference
    stated in
    Q199897 (Deleted Item)
    MeSH
    C031655
    retrieved
    15 March 2018
    LIPID MAPS ID
    LMST05040015
    1 reference
    stated in
    Q20968889 (Deleted Item)
    reference URL
    http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download
    retrieved
    30 Haziran 2018
    Human Metabolome Database ID English
    HMDB0000874
    0 references
    MassBank accession ID English
    RP006201
    0 references
    RP006202
    0 references
    RP006203
    0 references
    NU000776
    0 references
    NU000777
    0 references
    NU000778
    0 references
    NU000779
    0 references
    NU000780
    0 references
    has part
    carbon
    0 references
    hydrogen
    0 references
    nitrogen
    0 references
    oxygen
    0 references
    sulphur
    0 references
    DSSTox substance ID English
    DTXSID80932754
    0 references
    Microsoft Academic ID
    2777422422
    0 references
    DSSTOX compound identifier English
    DTXCID901361436
    0 references
    PDB ligand ID English
    5D5
    0 references
    Freebase ID
    /m/0glr23p
    0 references
    found in taxon
    Q15978631 (Deleted Item)
    1 reference
    stated in
    Q111225593 (Deleted Item)
    Commons category
    Tauroursodeoxycholic acid
    0 references
    P11199 (Deleted Property)
    PD016227 Property P11199 not found, cannot determine the data type to use.
    0 references
     
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