Consensus flow list

Identity

Type
Neutral molecule
CAS
98-67-9
EC
202-691-6
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for 4-hydroxybenzenesulfonic Acid

Alternative labels

11

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string FEPBITJSIHRMRT-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C6H6O4S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4,7H,(H,8,9,10)
IUPAC name chemrof:IUPAC_name 4-hydroxybenzenesulfonic Acid
Molecular formula chemrof:molecular_formula C6H6O4S
Molecular mass chemrof:molecular_mass 174.177
Monoisotopic mass chemrof:monoisotopic_mass 173.99868
SMILES string chemrof:smiles_string O=S(=O)(O)c1ccc(O)cc1

Known URLs

20

Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.

Resource URL Recorded by
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=98-67-9 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:32354 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.002.447 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID1046421 enrich_references.pubchem_identifier_url
drugbank.ca https://www.drugbank.ca/drugs/DB14739 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=227908 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1398657 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/L74LRO149A enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J4.956E enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C12849 enrich_references.chebi_xrefs
KEGG https://www.genome.jp/entry/D01403 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C12849 enrich_references.pubchem_identifier_url
kegg.jp https://www.kegg.jp/entry/D01403 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=54540 enrich_references.pubchem_identifier_url
platform.opentargets.org https://platform.opentargets.org/drug/CHEMBL1398657 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/4765 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#1803 enrich_references.pubchem_identifier_url
reaxys reaxys:1869034 enrich_references.chebi_xrefs
rxnav.nlm.nih.gov https://rxnav.nlm.nih.gov/id/rxnorm/1651701 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q1534677 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
0a454314-c0e8-4879-bb91-d01917280da8 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
303c6464-be9c-4936-917b-41de3e7400b8 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
8815afd6-960e-478a-95ed-b91c84a8c563 Environmental → Air → Indoor EF 3.1 kg 4
6b683d1f-1ba3-4073-b373-9b959e15f10f Environmental → Air → Long-term EF 3.1 kg 0
6ffe9a02-679f-4a58-a731-7d44fa6a99c2 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
dd8517fa-fe90-4d37-8cbd-319b130b01e5 Environmental → Air → Unknown EF 3.1 kg 4
d068a201-5b0c-40b7-8dc9-f4f76065cef5 Environmental → Ground → Agricultural EF 3.1 kg 4
8ad93ddf-3a9b-426a-9f09-ecc6c1539c7a Environmental → Ground → Non-agricultural EF 3.1 kg 4
fe267466-afae-4fe2-8a28-41ae92439a32 Environmental → Ground → Unknown EF 3.1 kg 4
98cf4bb4-eb80-444b-9ce3-b17550d65ffb Environmental → Water → Long-term EF 3.1 kg 0
cfa3274a-f7cc-4851-bc36-e663d1c51e17 Environmental → Water → Ocean EF 3.1 kg 4
f43f7da2-d608-4419-baf0-666417a0f9fc Environmental → Water → Surface water EF 3.1 kg 4
74d279d9-cd1e-4608-b341-d96f6b0db3a5 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-f73fa58c1cfba2e3",
  "prefLabel": [
    {
      "@value": "4-hydroxybenzenesulfonic Acid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "4-Hydroxyphenylsulfonic acid",
      "@language": "en",
      "@lang": "en",
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    },
    {
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    },
    {
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    {
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    },
    {
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    },
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      "@value": "Sulfocarbolic acid",
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