Consensus flow list

Identity

Type
Chemical salt
CAS
81591-81-3
EC
Origin
EF 3.1 hybrid_name_cas_v1
Changes
62 across every transformer

Structure

Structure diagram for Glyphosate-trimesium

Alternative labels

12

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string RUCAXVJJQQJZGU-UHFFFAOYSA-M
InChI2D string chemrof:inchi2d_string InChI=1S/C3H8NO5P.C3H9S/c5-3(6)1-4-2-10(7,8)9;1-4(2)3/h4H,1-2H2,(H,5,6)(H2,7,8,9);1-3H3/q;+1/p-1
IUPAC name chemrof:IUPAC_name N-Phosphonomethylglycine monotrimethylsulfonium salt
Molecular formula chemrof:molecular_formula C6H16NO5PS
Molecular mass chemrof:molecular_mass 245.237
Monoisotopic mass chemrof:monoisotopic_mass 245.04868
SMILES string chemrof:smiles_string C[S+](C)C.O=C([O-])CNCP(=O)(O)O

Known URLs

9

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=81591-81-3 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.113.346 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.130.095 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID5034939 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/93B42P85LG enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/105048 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/24838536 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/76965329 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q22829365 enrich_references.pubchem_identifier_url

Elementary flows

14
Flow Context Source Unit CFs
3e4dc5ab-6556-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 0
3e4dc5ad-6556-11dd-ad8b-0800200c9a66 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 0
3e4dc5aa-6556-11dd-ad8b-0800200c9a66 Environmental → Air → Long-term EF 3.1 kg 0
3e4dc5ac-6556-11dd-ad8b-0800200c9a66 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 0
3e4dc5a9-6556-11dd-ad8b-0800200c9a66 Environmental → Air → Unknown EF 3.1 kg 0
77708ba4-c1ef-4e2a-b8eb-c8bb2362a552 Environmental → Ground → Agricultural EF 3.1 kg 0
08a91e70-3ddc-11dd-9443-0050c2490048 Environmental → Ground → Non-agricultural EF 3.1 kg 0
13390b17b7696bcf818648ebdb0d1a6fc9e1ec63 Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
08a91e70-3ddc-11dd-943f-0050c2490048 Environmental → Ground → Unknown EF 3.1 kg 0
08a91e70-3ddc-11dd-9441-0050c2490048 Environmental → Water → Long-term EF 3.1 kg 0
08a91e70-3ddc-11dd-9444-0050c2490048 Environmental → Water → Ocean EF 3.1 kg 0
08a91e70-3ddc-11dd-9440-0050c2490048 Environmental → Water → Surface water EF 3.1 kg 0
08a91e70-3ddc-11dd-9442-0050c2490048 Environmental → Water → Unknown EF 3.1 kg 0
fe0acd60-3ddc-11dd-a64f-0050c2490048 deprecated Environmental → Ground → Agricultural EF 3.1 kg 0

History

Everything that changed this substance (62 changes)

Open the changes page

Full record

Flow object JSON
{
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          "@id": "https://commonchemistry.cas.org/detail?cas_rn=81591-81-3"
        }
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    }
  },
  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/ChemicalSalt"
  ]
}

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