Consensus flow list

Identity

Type
Neutral molecule
CAS
121-47-1
EC
204-473-6
Origin
EF 3.1 hybrid_name_cas_v1
Changes
58 across every transformer

Structure

Structure diagram for 3-Aminobenzenesulfonic acid

Alternative labels

15

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string ZAJAQTYSTDTMCU-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C6H7NO3S/c7-5-2-1-3-6(4-5)11(8,9)10/h1-4H,7H2,(H,8,9,10)
IUPAC name chemrof:IUPAC_name 3-Aminobenzenesulfonic acid
Molecular formula chemrof:molecular_formula C6H7NO3S
Molecular mass chemrof:molecular_mass 173.193
Monoisotopic mass chemrof:monoisotopic_mass 173.01466, 173.014664
SMILES string chemrof:smiles_string Nc1cccc(S(=O)(=O)O)c1

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
beilstein beilstein:473264 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=105009-55-0 enrich_references.pubchem_identifier_url
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=121-47-1 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:27764 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.004.067 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID6024462 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=4504 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1456811 enrich_references.pubchem_identifier_url
gmelin gmelin:407267 enrich_references.chebi_xrefs
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/OT03NUM20P enrich_references.pubchem_identifier_url
hts.usitc.gov https://hts.usitc.gov/search?query=2921.42.21.00 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.487B enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C06334 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C06334 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=51449 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/8474 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#2585 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=021250 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q1422618 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Metanilic_acid enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
d63284d1-744c-4aaa-85de-6dc401524220 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
dda9de7a-563c-406e-b208-558bbf28c0a0 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
82d5caf1-0a5a-4c11-b55b-9499f9429b69 Environmental → Air → Indoor EF 3.1 kg 4
45101e96-6cd2-4bdc-8a0d-61032ee57332 Environmental → Air → Long-term EF 3.1 kg 0
c0ac8b65-acc3-47c3-92d2-200405dbb8a6 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
d43e8395-3117-4371-84f5-3095202a7f3b Environmental → Air → Unknown EF 3.1 kg 4
35e6b714-b741-4fa5-a7c6-1d77f89ea8f4 Environmental → Ground → Agricultural EF 3.1 kg 4
02e073e7-e86b-4bd6-83e7-075713a42fe6 Environmental → Ground → Non-agricultural EF 3.1 kg 4
432d607b-0bfd-45d7-a7d3-933344c8f211 Environmental → Ground → Unknown EF 3.1 kg 4
3822dd5c-b166-4e7e-be79-f98b62ef7b7d Environmental → Water → Long-term EF 3.1 kg 0
554368c7-3544-495e-a02b-9b6afb6cc4f1 Environmental → Water → Ocean EF 3.1 kg 4
813cf681-f15a-411a-bb02-f740f1e96fad Environmental → Water → Surface water EF 3.1 kg 4
a30de1af-aae8-4157-809d-2a9bb28482f1 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (58 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-20eb7a36b6133958",
  "prefLabel": [
    {
      "@value": "3-Aminobenzenesulfonic acid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "Common Chemistry / ChEBI primary name agreement"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1-aminobenzene-3-sulfonic acid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "http://purl.obolibrary.org/obo/CHEBI_27764"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "3-Aminobenzene-1-sulfonic acid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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          "https://commonchemistry.cas.org/detail?cas_rn=121-47-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3-aminobenzenesulphonic Acid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "original name retained as altLabel"
      }
    },
    {
      "@value": "3-Aminophenylsulfonic acid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=121-47-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3-Anilinesulfonic acid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3-Azaniumylbenzenesulfonate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3-Sulfoaniline",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "5-Aminobenzene sulfonic acid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "https://commonchemistry.cas.org/detail?cas_rn=121-47-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "aniline-m-sulfonic acid",
      "@language": "en",
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      "provenance": {
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    },
    {
      "@value": "Benzenesulfonic acid, 3-amino-",
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      }
    },
    {
      "@value": "m-Aminobenzenesulfonic acid",
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    },
    {
      "@value": "m-Aminophenylsulfonic acid",
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    },
    {
      "@value": "m-anilinesulfonic acid",
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "m-sulfanilic acid",
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      "provenance": {
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    },
    {
      "@value": "Metanilic acid",
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        },
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          "prov:hadPrimarySource": [
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