indoxyl sulfate
chemical compound
Facts
7 properties- Instance of
- type of chemical entity
- Subclass of
- indole alkaloid
- Canonical SMILES
- C1=CC=C2C(=C1)C(=CN2)OS(=O)(=O)O[3]
- Chemical formula
- C₈H₇NO₄S[4]
- Different from
- Indykan[14]
- Found in taxon
- Isatis tinctoria, Calanthe discolor, Celosia argentea, Cissus sicyoides, Cissus discolor, Persicaria tinctoria, Calanthe triplicata, Strobilanthes cusia, Homo sapiens[5][6][7][8][9][10][11][12][13]
- Mass
- +213.01[15]
🏷️ Also known as
en indoxyl sulphate
en 1H-Indol-3-yl hydrogen sulfate
en 1H-Indol-3-yl hydrogen sulphate
en 1H-indol-3-yloxidanesulfonic acid
en 3-indolyl hydrogen sulfate
en 3-indolyl sulfate
en 3-Indoxyl sulfate
en 3-Indoxylsulfuric acid
en 3-Indoxyl sulphate
en 3-SULFOOXY-1H-INDOLE
en Indican
en Indol-3-ol
en indol-3-yl hydrogen sulfate
en Indol-3-yl sulfate
en indol-3-yl sulphate
en indoxyl sulfate
en Indoxyl sulfate
en Indoxyl sulfic acid
en Indoxylsulfuric acid
de Indoxylsulfat
🔖 Identifiers · 24
- CAS Registry Number
- 487-94-5
- ChEBI ID
- 43355
- ChEMBL ID
- CHEMBL1233636
- ChemSpider ID
- 9840
- DSSTOX compound identifier
- DTXCID00202087
- DSSTox substance ID
- DTXSID30928203, DTXSID701043787
- DrugBank ID
- DB07992
- Google Knowledge Graph ID
- /g/11f_rxd2t5
- Gran Enciclopèdia Catalana ID
- indican-1
- Gran Enciclopèdia Catalana ID (former scheme)
- 0116292
- Human Metabolome Database ID
- HMDB0000682
Show all 24 identifiers +12
- InChIKey
- BXFFHSIDQOFMLE-UHFFFAOYSA-N
- KNApSAcK ID
- C00052323
- MassBank accession ID
- MSBNK-RIKEN-PR100831, MSBNK-Keio_Univ-KO001246, MSBNK-Keio_Univ-KO001247, MSBNK-Keio_Univ-KO001248, MSBNK-Keio_Univ-KO001249, MSBNK-Keio_Univ-KO001250
- PDB ligand ID
- IOS
- PDB structure ID
- 2BXH
- Probes And Drugs ID
- PD005272
- PubChem CID
- 10258
- Reaxys registry number
- 188887
- SPLASH
- splash10-03e9-6290000000-b9b7292552ce2dcfccff, splash10-001i-9400000000-7348f8347e517b6e1de2, splash10-001i-9100000000-e9a190cf92fcef264150, splash10-001i-9000000000-d0f51465d6c4ede36ea4, splash10-01si-9350000000-7227b62421572ea4e5f7, splash10-001i-0900000000-d5c9e813f433f6a44f0f, splash10-03di-0090000000-f96b3c841e3e611f999e, splash10-03e9-3190000000-acaf7946def294059762, splash10-001i-9420000000-5f1e9c512165f9bd2631, splash10-001i-9110000000-e5f5a236dd9bf5fa3387, splash10-001i-9000000000-c9eec4c054ae464098ed, splash10-001i-9200000000-2fa7a5fde4214df01ed2, splash10-03di-2090000000-53c9050daddd26dc4b7f
- SureChEMBL ID
- 15755
- UNII
- KT0QA88913
- UniChem compound ID
- 643762
🔗 Connections
Found in taxon 7
Subclass of 1
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