Consensus flow list

Identity

Type
MolecularCation
CAS
7003-89-6
EC
Origin
ecoinvent-3.12 hybrid_name_cas_v1
Changes
0 across every transformer

Structure

Structure diagram for Chlormequat

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
plant growth regulator CHEBI:26155 A chemical, natural or artificial, that can affect the rate of growth of a plant. ChEBI

Alternative labels

6

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 1
InChI2D key string chemrof:inchi2d_key_string JUZXDNPBRPUIOR-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C5H13ClN/c1-7(2,3)5-4-6/h4-5H2,1-3H3/q+1
IUPAC name chemrof:IUPAC_name (2-chloroethyl)trimethylammonium
Molecular formula chemrof:molecular_formula C5H13ClN, C5H13ClN+
Molecular mass chemrof:molecular_mass 122.619
Monoisotopic mass chemrof:monoisotopic_mass 122.0731, 122.073104
SMILES string chemrof:smiles_string C[N+](C)(C)CCCl

Known URLs

12

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=7003-89-6 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:81850 enrich_references.chebi_id_link
KEGG https://www.genome.jp/entry/C18585 enrich_references.chebi_xrefs
pesticides pesticides:chlormequat enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/16466532 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/21497564 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/22686367 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/26536804 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/27020619 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/27423755 enrich_references.chebi_xrefs
reaxys reaxys:1736831 enrich_references.chebi_xrefs
Wikipedia https://en.wikipedia.org/wiki/chlormequat enrich_references.chebi_xrefs

Elementary flows

1
Flow Context Source Unit CFs
14ffaed3d306d2e248bd3abe8f7bc5ed1fcfefc7 Environmental → Ground → Agricultural ecoinvent algorithm addition kg 0

History

Everything that changed this substance (0 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-dd48e1212f4eeb1e",
  "prefLabel": [
    {
      "@value": "Chlormequat",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "(2-chloroethyl)trimethylammonium",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "(beta-chloroethyl)trimethylammonium",
      "@language": "en",
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      "provenance": {
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      }
    },
    {
      "@value": "2-chloro-N,N,N-trimethylethan-1-aminium",
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      "provenance": {
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "2-chloro-N,N,N-trimethylethanaminium",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "trimethyl-(2-chloroethyl)-ammonium",
      "@language": "en",
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    },
    {
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