Brightway Flows 1.0
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3-sulfanylpropanoic Acid

fo-37aca97ab8ce3a41

Identity

Type
Neutral molecule
CAS
107-96-0
EC
203-537-0
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for 3-sulfanylpropanoic Acid

Alternative labels

22

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string DKIDEFUBRARXTE-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C3H6O2S/c4-3(5)1-2-6/h6H,1-2H2,(H,4,5)
IUPAC name chemrof:IUPAC_name 3-sulfanylpropanoic Acid
Molecular formula chemrof:molecular_formula C3H6O2S
Molecular mass chemrof:molecular_mass 106.146
Monoisotopic mass chemrof:monoisotopic_mass 106.00885
SMILES string chemrof:smiles_string O=C(O)CCS

Known URLs

21

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=107-96-0 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:44111 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.003.216 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID8026775 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=437 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL358697 enrich_references.pubchem_identifier_url
femaflavor.org https://www.femaflavor.org/flavor-library/3-mercaptopropionic-acid enrich_references.pubchem_identifier_url
gmelin gmelin:101294 enrich_references.chebi_xrefs
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/B03TJ3QU9M enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0041604 enrich_references.chebi_xrefs
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J38.166G enrich_references.pubchem_identifier_url
kegg.jp https://www.kegg.jp/entry/C22312 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=49441 enrich_references.pubchem_identifier_url
MetaCyc https://metacyc.org/compound?orgid=META&id=CPD-7673 enrich_references.chebi_xrefs
pdb-ccd pdb-ccd:MPT enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/6514 enrich_references.pubchem_compound
PubMed https://pubmed.ncbi.nlm.nih.gov/19885720 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/3600189 enrich_references.chebi_xrefs
reaxys reaxys:773807 enrich_references.chebi_xrefs
Wikidata https://www.wikidata.org/wiki/Q11751618 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/3-Mercaptopropionic_acid enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
cd56e81b-068d-4280-b7c4-8b44f49e8612 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
2ac9f9e3-cbc2-497b-b017-cd31f9caea62 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
e8d9927a-5009-4196-9766-d1482895295e Environmental → Air → Indoor EF 3.1 kg 2
8e5d485d-3a42-44f2-a6a2-24d42a721ffa Environmental → Air → Long-term EF 3.1 kg 0
cd9b28d4-b840-48cc-aee6-f2fa839ba27f Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
77d00e75-45b7-4b5b-84db-5ba4d4105028 Environmental → Air → Unknown EF 3.1 kg 2
dab2f4be-4ea0-45c9-8e90-7782d2375af3 Environmental → Ground → Agricultural EF 3.1 kg 2
0a11e8b2-2025-4a49-8155-39226c4a0756 Environmental → Ground → Non-agricultural EF 3.1 kg 2
8c61bf50-1d87-41fa-b22f-d29097d44d70 Environmental → Ground → Unknown EF 3.1 kg 2
ca8f1472-3eaf-4845-84eb-c0e72b204d76 Environmental → Water → Long-term EF 3.1 kg 0
bef4b614-5e58-4973-80a5-af46147b22c9 Environmental → Water → Ocean EF 3.1 kg 2
4edb35dd-6061-425e-b95e-ac7bd326ced7 Environmental → Water → Surface water EF 3.1 kg 2
f6539c64-8b80-487c-b7b8-f26c54e848d6 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-37aca97ab8ce3a41",
  "prefLabel": [
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      "@language": "en",
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  ],
  "altLabel": [
    {
      "@value": "2-mercaptoethanecarboxylic acid",
      "@language": "en",
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "3-mercaptopropanoic acid",
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      }
    },
    {
      "@value": "3-mercaptopropionic acid",
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "3-thiohydracrylic acid",
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      }
    },
    {
      "@value": "3-thiolpropanoic acid",
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    },
    {
      "@value": "BETA-MERCAPTOPROPIONIC ACID",
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