Consensus flow list

Identity

Type
Neutral molecule
CAS
120-18-3
EC
204-375-3
Origin
EF 3.1 hybrid_name_cas_v1
Changes
57 across every transformer

Structure

Structure diagram for Naphthalene-2-sulphonic Acid

What it is used for

1

Roles, not types. A substance bears as many as apply — sulfluramid is an insecticide and an acaricide — and each is a class ChEBI curates, asserted with ChEBI’s own has role. The narrow ones publish the broad ones alongside them, so a substance filed as a herbicide is a pesticide here too. See agricultural chemicals for what the axis is and which classes are published.

Role Definition Evidence
environmental contaminant CHEBI:78298 Any minor or unwanted substance introduced into the environment that can have undesired effects. ChEBI

Alternative labels

11

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string KVBGVZZKJNLNJU-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C10H8O3S/c11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H,11,12,13)
IUPAC name chemrof:IUPAC_name Naphthalene-2-sulphonic Acid
Molecular formula chemrof:molecular_formula C10H8O3S
Molecular mass chemrof:molecular_mass 208.238
Monoisotopic mass chemrof:monoisotopic_mass 208.019415, 208.01942
SMILES string chemrof:smiles_string O=S(=O)(O)c1ccc2ccccc2c1

Known URLs

23

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:1955756 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=120-18-3 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:44229 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.003.978 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID5044788 enrich_references.pubchem_identifier_url
DrugBank https://go.drugbank.com/drugs/DB08254 enrich_references.chebi_xrefs
drugbank.ca https://www.drugbank.ca/drugs/DB08254 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1234624 enrich_references.pubchem_identifier_url
gmelin gmelin:83920 enrich_references.chebi_xrefs
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/O9S4K2S25E enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0255446 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J5.321J enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C16202 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C16202 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=52370 enrich_references.pubchem_identifier_url
pdb-ccd pdb-ccd:NAS enrich_references.chebi_xrefs
platform.opentargets.org https://platform.opentargets.org/drug/CHEMBL1234624 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/8420 enrich_references.pubchem_compound
PubMed https://pubmed.ncbi.nlm.nih.gov/24645539 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/25080254 enrich_references.chebi_xrefs
reaxys reaxys:1955756 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q10395590 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Naphthalene-2-sulfonic_acid enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
2bee1d6b-6aad-4823-b2ab-498e680a6ad4 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
87812232-09fc-4c67-9763-897bb490ebbb Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
0bd7a905-594e-4f59-8210-5b177a2613fc Environmental → Air → Indoor EF 3.1 kg 4
e2eafb99-4801-49ef-a8f9-0731665f8059 Environmental → Air → Long-term EF 3.1 kg 0
9b884c8c-0102-4519-b6b9-5a987690ff13 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
32ce5ad9-90b5-44eb-a1c1-a98b44d848e8 Environmental → Air → Unknown EF 3.1 kg 4
56da4731-5b22-41b5-9ae4-c3167c890103 Environmental → Ground → Agricultural EF 3.1 kg 4
dca3e786-ca93-4118-8d9d-21c685d4fbfb Environmental → Ground → Non-agricultural EF 3.1 kg 4
1e22621b-50cd-46fe-9d44-846c4013548b Environmental → Ground → Unknown EF 3.1 kg 4
c178ad75-3030-443f-a330-f7bdbab4569b Environmental → Water → Long-term EF 3.1 kg 0
17ad0375-2aab-47f3-86c6-7e3342babaa7 Environmental → Water → Ocean EF 3.1 kg 4
a979f9a0-06a7-4203-8557-fac005317fe5 Environmental → Water → Surface water EF 3.1 kg 4
9a0591cb-566d-467b-9b06-4ae1396aa6aa Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (57 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-9360d63aed752855",
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  ],
  "altLabel": [
    {
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    {
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