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pregnenolone sulfate English (Q7239912)

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
    Q143623 (Deleted Item)
    2 references
    stated in
    Q20968889 (Deleted Item)
    retrieved
    31 July 2019
    Q76389918 (Deleted Item)
    1 reference
    inferred from
    Q76389918 (Deleted Item)
    CAS registry number
    1247-64-9
    2 references
    stated in
    Unique Ingredient Identifier English
    UNII English
    04Y4D91RG0
    language of work or name
    English
    title
    pregnenolone sulfate (English)
    retrieved
    20 November 2016
    stated in
    Q18907859 (Deleted Item)
    retrieved
    7 April 2021
    reference URL
    https://commonchemistry.cas.org/detail?cas_rn=1247-64-9
    InChIKey
    DIJBBUIOWGGQOP-QGVNFLHTSA-N
    PubChem CID
    105074
    1 reference
    stated in
    Q278487 (Deleted Item)
    PubChem CID
    105074
    language of work or name
    English
    title
    pregnenolone sulfate (English)
    retrieved
    20 November 2016
    InChI
    InChI=1S/C21H32O5S/c1-13(22)17-6-7-18-16-5-4-14-12-15(26-27(23,24)25)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,15-19H,5-12H2,1-3H3,(H,23,24,25)/t15-,16-,17+,18-,19-,20-,21+/m0/s1
    1 reference
    stated in
    Q278487 (Deleted Item)
    PubChem CID
    105074
    language of work or name
    English
    title
    pregnenolone sulfate (English)
    retrieved
    20 November 2016
    InChIKey
    DIJBBUIOWGGQOP-QGVNFLHTSA-N
    2 references
    stated in
    Q278487 (Deleted Item)
    PubChem CID
    105074
    language of work or name
    English
    title
    pregnenolone sulfate (English)
    retrieved
    20 November 2016
    stated in
    Q98915402 (Deleted Item)
    chemical formula
    C₂₁H₃₂O₅S
    1 reference
    stated in
    Q278487 (Deleted Item)
    PubChem CID
    105074
    language of work or name
    English
    title
    pregnenolone sulfate (English)
    retrieved
    20 November 2016
    UNII English
    04Y4D91RG0
    1 reference
    stated in
    Unique Ingredient Identifier English
    UNII English
    04Y4D91RG0
    language of work or name
    English
    title
    pregnenolone sulfate (English)
    retrieved
    20 November 2016
    ChEBI ID
    35420
    mapping relation type English
    exact match English
    1 reference
    stated in
    ChEMBL English
    ChEMBL ID
    CHEMBL1179605
    language of work or name
    English
    title
    CHEMBL1179605 (English)
    retrieved
    20 November 2016
    ChEMBL ID
    CHEMBL1179605
    1 reference
    stated in
    ChEMBL English
    ChEMBL ID
    CHEMBL1179605
    language of work or name
    English
    title
    CHEMBL1179605 (English)
    retrieved
    20 November 2016
    Guide to Pharmacology Ligand ID English
    4290
    1 reference
    stated in
    Q17091219 (Deleted Item)
    Guide to Pharmacology Ligand ID English
    4290
    language of work or name
    English
    title
    pregnenolone sulphate (English)
    retrieved
    20 November 2016
    6504
    1 reference
    stated in
    Q17091219 (Deleted Item)
    retrieved
    5 February 2021
    ChemSpider ID
    94802
    1 reference
    stated in
    ChemSpider
    ChemSpider ID
    94802
    language of work or name
    English
    title
    Pregnenolone sulfate (English)
    retrieved
    20 November 2016
    isomeric SMILES
    CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OS(=O)(=O)O)C)C
    1 reference
    stated in
    Q278487 (Deleted Item)
    PubChem CID
    105074
    language of work or name
    English
    title
    pregnenolone sulfate (English)
    retrieved
    20 November 2016
    SMILES
    CC(=O)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OS(=O)(=O)O)C)C
    1 reference
    stated in
    Q278487 (Deleted Item)
    PubChem CID
    105074
    language of work or name
    English
    title
    pregnenolone sulfate (English)
    retrieved
    20 November 2016
    Reaxys registry number English
    2632294
    1 reference
    stated in
    Q902623 (Deleted Item)
    ChEBI ID
    35420
    language of work or name
    English
    title
    pregnenolone sulfate (English)
    retrieved
    3 October 2016
    KEGG ID English
    C18044
    1 reference
    stated in
    Q902623 (Deleted Item)
    ChEBI ID
    35420
    language of work or name
    English
    title
    pregnenolone sulfate (English)
    retrieved
    3 October 2016
    mass
    396.197045 http://www.wikidata.org/entity/Q483261
    1 reference
    stated in
    Q278487 (Deleted Item)
    PubChem CID
    105074
    language of work or name
    English
    title
    pregnenolone sulfate (English)
    retrieved
    3 October 2016
    found in taxon
    Q15978631 (Deleted Item)
    2 references
    stated in
    Q28601559 (Deleted Item)
    stated in
    Q111225593 (Deleted Item)
    LIPID MAPS ID
    LMST05020014
    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
    HMDB0000774
    0 references
    physically interacts with
    Q21103155 (Deleted Item)
    subject has role
    Q410943 (Deleted Item)
    1 reference
    stated in
    Q17091219 (Deleted Item)
    Guide to Pharmacology Ligand ID English
    4290
    language of work or name
    English
    retrieved
    17 August 2016
    Q21115954 (Deleted Item)
    subject has role
    Q410943 (Deleted Item)
    1 reference
    stated in
    Q17091219 (Deleted Item)
    Guide to Pharmacology Ligand ID English
    4290
    language of work or name
    English
    retrieved
    17 August 2016
    Q21103162 (Deleted Item)
    subject has role
    Q410943 (Deleted Item)
    1 reference
    stated in
    Q17091219 (Deleted Item)
    Guide to Pharmacology Ligand ID English
    4290
    language of work or name
    English
    retrieved
    17 August 2016
    Commons category
    Pregnenolone sulfate
    0 references
    DSSTox substance ID English
    DTXSID60924910
    0 references
    Microsoft Academic ID
    2780957381
    0 references
    2910402036
    0 references
    DSSTOX compound identifier English
    DTXCID701353742
    0 references
    PDB ligand ID English
    A8W
    0 references
    Freebase ID
    /m/09k5tcd
    0 references
    P11199 (Deleted Property)
    PD048239 Property P11199 not found, cannot determine the data type to use.
    0 references
     
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