Consensus flow list

Cysteine Hydrochloride

fo-fac64e6121b55780

Identity

Type
Molecular complex
CAS
52-89-1
EC
200-157-7
Origin
EF 3.1 hybrid_name_cas_v1
Changes
57 across every transformer

Structure

Structure diagram for Cysteine Hydrochloride

This substance carries 2 candidate structures; the diagram is the first one RDKit could parse, not a settled answer.

Alternative labels

16

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string IFQSXNOEEPCSLW-DKWTVANSSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C3H7NO2S.ClH/c4-2(1-7)3(5)6;/h2,7H,1,4H2,(H,5,6);1H/t2-;/m0./s1
Isomeric SMILES string chemrof:isomeric_smiles_string Cl.N[C@@H](CS)C(=O)O
IUPAC name chemrof:IUPAC_name Cysteine Hydrochloride
Molecular formula chemrof:molecular_formula C3H7NO2S.HCl, C3H8ClNO2S
Molecular mass chemrof:molecular_mass 157.622
Monoisotopic mass chemrof:monoisotopic_mass 156.996427, 156.99643
SMILES string chemrof:smiles_string Cl.NC(CS)C(=O)O

Known URLs

17

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=52-89-1 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:91247 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.000.144 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID0020367 enrich_references.pubchem_identifier_url
DrugBank https://go.drugbank.com/drugs/DB00151 enrich_references.chebi_xrefs
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1200630 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/A9U1687S1S enrich_references.pubchem_identifier_url
hts.usitc.gov https://hts.usitc.gov/search?query=2930.90.92.10 enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C65361 enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C77372 enrich_references.pubchem_identifier_url
platform.opentargets.org https://platform.opentargets.org/drug/CHEMBL1200630 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/60960 enrich_references.pubchem_compound
PubMed https://pubmed.ncbi.nlm.nih.gov/26282319 enrich_references.chebi_xrefs
reaxys reaxys:3560277 enrich_references.chebi_xrefs
rxnav.nlm.nih.gov https://rxnav.nlm.nih.gov/id/rxnorm/221086 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q27163158 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Cysteine enrich_references.chebi_xrefs

Elementary flows

13
Flow Context Source Unit CFs
c35ee5b8-3dfd-4abc-a6c6-0e914d3b9b06 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
78eed0ab-cd85-4e52-b085-daaf4322d650 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
38efa462-5c3a-4f62-916d-68e0fe962229 Environmental → Air → Indoor EF 3.1 kg 2
7878e97f-5df5-45de-8c52-cd7ea71bdaeb Environmental → Air → Long-term EF 3.1 kg 0
b84a504b-d796-457f-b74b-f2aab76bb207 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
deb14baa-3f38-4bd7-9f11-ac9b16aa2c07 Environmental → Air → Unknown EF 3.1 kg 2
ad9025d4-6274-43ac-9c95-890439407389 Environmental → Ground → Agricultural EF 3.1 kg 2
c9ad871f-2eed-4b09-9070-923a2c0e19d9 Environmental → Ground → Non-agricultural EF 3.1 kg 2
be59e782-b109-4ac4-ada3-4a6c7be120b3 Environmental → Ground → Unknown EF 3.1 kg 2
b32dd519-2ca0-42dd-907e-655e7a3cd52b Environmental → Water → Long-term EF 3.1 kg 0
bbd7df1b-d470-4fee-a1fb-7607103662e1 Environmental → Water → Ocean EF 3.1 kg 2
d3e1aaae-94dd-4367-ba99-17e0167e2b51 Environmental → Water → Surface water EF 3.1 kg 2
6a189793-8acc-44a4-92f9-344ed24be89f Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (57 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-fac64e6121b55780",
  "prefLabel": [
    {
      "@value": "Cysteine Hydrochloride",
      "@language": "en",
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  ],
  "altLabel": [
    {
      "@value": "(1R)-1-carboxy-2-sulfanylethan-1-aminium chloride",
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      "@lang": "en",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "(2R)-2-Amino-3-sulfanylpropanoic acid hydrochloride",
      "@language": "en",
      "@lang": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "(R)-1-Carboxy-2-mercaptoethanaminium chloride",
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      "provenance": {
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      }
    },
    {
      "@value": "(R)-Cysteine hydrochloride",
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      }
    },
    {
      "@value": "Cystein chloride",
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    },
    {
      "@value": "Cysteine chlorohydrate",
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    {
      "@value": "Cysteine HCl (anhydrous)",
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    },
    {
      "@value": "Cysteine monohydrochloride",
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    {
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    },
    {
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    {
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    {
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    {
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  "references": [
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