Consensus flow list

Identity

Type
Neutral molecule
CAS
583-91-5
EC
209-523-0
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for 2-hydroxy-4-(methylthio)butyric Acid

Alternative labels

26

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string ONFOSYPQQXJWGS-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C5H10O3S/c1-9-3-2-4(6)5(7)8/h4,6H,2-3H2,1H3,(H,7,8)
IUPAC name chemrof:IUPAC_name 2-hydroxy-4-(methylthio)butyric Acid
Molecular formula chemrof:molecular_formula C5H10O3S
Molecular mass chemrof:molecular_mass 150.199
Monoisotopic mass chemrof:monoisotopic_mass 150.035065
SMILES string chemrof:smiles_string CSCCC(O)C(=O)O

Known URLs

15

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=583-91-5 enrich_references.consensus_cas_link
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:137228 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.008.659 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID50862236 enrich_references.pubchem_identifier_url
drugbank.ca https://www.drugbank.ca/drugs/DB15832 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL2104213 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/Z94465H1Y7 enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0037115 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J21.888J enrich_references.pubchem_identifier_url
lipidmaps.org https://lipidmaps.org/databases/lmsd/LMFA01050480 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=47619 enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C77373 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/11427 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27295171 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/2-Hydroxy-4-(methylthio)butyric_acid enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
916f96ec-5ebe-4515-bb02-52403d180910 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
2ce3d1af-178b-4242-a2b5-419ba5e051ee Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
6bd4c74f-3c31-4c80-a316-9532739de080 Environmental → Air → Indoor EF 3.1 kg 2
d0eac98a-ee31-4c1a-b726-138e1a2b55fb Environmental → Air → Long-term EF 3.1 kg 0
46edbd48-cda6-4f31-b968-940edd1fa030 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
6b8113eb-cebe-4802-b5c6-ce0b453b4efb Environmental → Air → Unknown EF 3.1 kg 2
36fd18e3-2f16-4127-9147-31c83fada0b5 Environmental → Ground → Agricultural EF 3.1 kg 2
a9af8729-ed10-4d35-bfde-0343d94b0300 Environmental → Ground → Non-agricultural EF 3.1 kg 2
41537890-02bc-4b96-9c32-fcbbdfbba730 Environmental → Ground → Unknown EF 3.1 kg 2
3f2045ed-47da-475c-b3a7-c08aa3da2584 Environmental → Water → Long-term EF 3.1 kg 0
0fccc054-9d0c-4cf7-9a3b-71acd7c820de Environmental → Water → Ocean EF 3.1 kg 2
23ea60ab-660f-4b6c-b4a0-f4eafac5718a Environmental → Water → Surface water EF 3.1 kg 2
b8945588-74d3-4dc2-bfdb-59c2ed09a6a7 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-adfaec851dc2892a",
  "prefLabel": [
    {
      "@value": "2-hydroxy-4-(methylthio)butyric Acid",
      "@language": "en",
      "@lang": "en",
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        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "(+)-2-Hydroxy-4-(methylthio)butyric acid",
      "@language": "en",
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      }
    },
    {
      "@value": "2-Hydroxy-4-(methylmercapto)butyric acid",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Hydroxy-4-(methylsulfanyl)butanoic acid",
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      }
    },
    {
      "@value": "4-Methylthio-2-hydroxybutyric acid",
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      "@value": "Alimet",
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      "@value": "BIOX-A",
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    },
    {
      "@value": "Butanoic acid, 2-hydroxy-4-(methylthio)-",
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      }
    },
    {
      "@value": "Butyric acid, 2-hydroxy-4-(methylthio)-",
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    {
      "@value": "Butyric acid, α-hydroxy-γ-(methylmercapto)-",
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      "@value": "Desmenidol",
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    },
    {
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    {
      "@value": "DL-2-Hydroxy-4-(methylmercapto)butanoic acid",
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    },
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      "@value": "DL-2-Hydroxy-4-(methylmercapto)butyric acid",
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      }
    },
    {
      "@value": "DL-α-Hydroxy-γ-methylmercaptobutyric acid",
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    },
    {
      "@value": "HMTBA",
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    },
    {
      "@value": "Hydan L",
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        ],
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      }
    },
    {
      "@value": "MHA acid",
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    },
    {
      "@value": "MHA-FA",
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      }
    },
    {
      "@value": "α-Hydroxy-4-(methylthio)butyric acid",
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      }
    },
    {
      "@value": "α-Hydroxy-γ-(methylmercapto)butyric acid",
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    },
    {
      "@value": "α-Hydroxy-γ-(methylthio)butyric acid",
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        ],
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      }
    },
    {
      "@value": "γ-(Methylmercapto)-α-hydroxybutyric acid",
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    },
    {
      "@value": "γ-(Methylthio)-α-hydroxybutyric acid",
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  ],
  "properties": {
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      "@id": "https://w3id.org/chemrof/molecular_formula",
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        "C5H10O3S"
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    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
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