Consensus flow list

Identity

Type
Neutral molecule
CAS
462-20-4
EC
610-288-5
Origin
EF 3.1 hybrid_name_cas_v1
Changes
58 across every transformer

Structure

Structure diagram for Dihydrolipoic acid

Alternative labels

20

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string IZFHEQBZOYJLPK-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C8H16O2S2/c9-8(10)4-2-1-3-7(12)5-6-11/h7,11-12H,1-6H2,(H,9,10)
IUPAC name chemrof:IUPAC_name 6,8-bis-sulfanyloctanoic acid
Molecular formula chemrof:molecular_formula C8H16O2S2
Molecular mass chemrof:molecular_mass 208.348
Monoisotopic mass chemrof:monoisotopic_mass 208.05917, 208.059172
SMILES string chemrof:smiles_string O=C(O)CCCCC(S)CCS

Known URLs

19

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=462-20-4 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:18047 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.120.390 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID50861946 enrich_references.pubchem_identifier_url
DrugBank https://go.drugbank.com/drugs/DB03760 enrich_references.chebi_xrefs
drugbank.ca https://www.drugbank.ca/drugs/DB03760 enrich_references.pubchem_identifier_url
gmelin gmelin:675796 enrich_references.chebi_xrefs
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/7NV2KHU5JA enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0012210 enrich_references.chebi_xrefs
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J86.722E enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C02147 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/421 enrich_references.pubchem_compound
PubMed https://pubmed.ncbi.nlm.nih.gov/12127266 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/1345759 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/17403519 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/18951944 enrich_references.chebi_xrefs
reaxys reaxys:1722777 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q5276437 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Dihydrolipoic_acid enrich_references.chebi_xrefs

Elementary flows

13
Flow Context Source Unit CFs
b8608aef-f50c-42bd-97c5-1cb07e3fd015 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
7af96042-c726-4cdb-b0a2-6050d0c50e70 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
308e07f2-1231-4774-899a-753d9da20fa1 Environmental → Air → Indoor EF 3.1 kg 2
0f0b1bc8-1305-465c-9f2a-dd101768bef2 Environmental → Air → Long-term EF 3.1 kg 0
1e2a228b-63d1-49de-bc78-83d670f6601d Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
2228b8b3-9980-4d23-a9ae-e80b718e103f Environmental → Air → Unknown EF 3.1 kg 2
079a0561-b1d9-407a-a04e-9072d3da0482 Environmental → Ground → Agricultural EF 3.1 kg 2
4363373f-e66e-4a52-acc5-faa302d15af8 Environmental → Ground → Non-agricultural EF 3.1 kg 2
6a830083-71b8-4919-b5fd-8aeafef4ea9a Environmental → Ground → Unknown EF 3.1 kg 2
7f13042d-6224-47b0-b166-50982f6cbd3f Environmental → Water → Long-term EF 3.1 kg 0
e4b10e23-147f-45ed-8e8c-541862f3f85a Environmental → Water → Ocean EF 3.1 kg 2
fda7c6d8-7505-4c59-bb74-759ef4439a6d Environmental → Water → Surface water EF 3.1 kg 2
25f25bde-56f8-4598-8fe8-89bb6f9029a7 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (58 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-5489bd1ffa889576",
  "prefLabel": [
    {
      "@value": "Dihydrolipoic acid",
      "@language": "en",
      "@lang": "en",
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          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "Common Chemistry / ChEBI primary name agreement"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "(±)-Dihydro-α-lipoic acid",
      "@language": "en",
      "@lang": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "(±)-Dihydrolipoic acid",
      "@language": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "6,8-bis-sulfanyloctanoic acid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "6,8-Dihydrothioctic acid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "6,8-dimercapto-octanoic acid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "6,8-dimercaptooctanoic acid",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "6,8-disulfanyloctanoic Acid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "original name retained as altLabel"
      }
    },
    {
      "@value": "6,8-Dithiooctanoic acid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "DHLA",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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      }
    },
    {
      "@value": "dihydro-alpha-lipoic acid",
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      }
    },
    {
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    },
    {
      "@value": "Dihydrothioctic acid",
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      }
    },
    {
      "@value": "DL-Dihydro-α-lipoic acid",
      "@language": "en",
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      "provenance": {
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      }
    },
    {
      "@value": "dl-Dihydrolipoic acid",
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      }
    },
    {
      "@value": "Octanoic acid, 6,8-dimercapto-",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Reduced lipoic acid",
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        ],
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      }
    },
    {
      "@value": "Reduced thioctic acid",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Thioctic acid, dihydro-",
      "@language": "en",
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      "provenance": {
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          "https://commonchemistry.cas.org/detail?cas_rn=462-20-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "α-Lipoic acid, dihydro-",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "γ-Lipoic acid",
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  ],
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      "rdfs:label": "InChI",
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