Glyphosate-trimesium
fo-065979af3253aa07
Identity
- Type
- Chemical salt
- CAS
- 81591-81-3
- EC
- —
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 62 across every transformer
Structure
Alternative labels
12- Glycine, N-(phosphonomethyl)-, ion(1-), trimethylsulfonium
- Glycine, N-(phosphonomethyl)-, ion(1-), trimethylsulfonium (1:1)
- Glyphosate mono(trimethylsulfonium) salt
- Glyphosate trimethylsulfonium salt
- Glyphosate-trimesium
- Medallon
- N-Phosphonomethylglycine monotrimethylsulfonium salt
- Ouragan
- Sulfonium, trimethyl-, salt with N-(phosphonomethyl)glycine (1:1)
- Sulfosate
- Touchdown
- Trimethylsulfonium glyphosate
Properties
| Property | Value |
|---|---|
| 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
9Where 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 | https://www.wikidata.org/wiki/Q22829365 | enrich_references.pubchem_identifier_url |
Elementary flows
15| 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 |
| a281c6e777087f47d82845fee53c52c795206c4c | Environmental → Water → River | agribalyse algorithm addition | 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)
Full record
Flow object JSON
{
"flow_object_id": "fo-065979af3253aa07",
"prefLabel": [
{
"@value": "Glyphosate-trimesium",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "bootstrap_labels",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "legacy name field"
}
}
],
"altLabel": [
{
"@value": "Glycine, N-(phosphonomethyl)-, ion(1-), trimethylsulfonium",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:81591-81-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=81591-81-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Glycine, N-(phosphonomethyl)-, ion(1-), trimethylsulfonium (1:1)",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:81591-81-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=81591-81-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Glyphosate mono(trimethylsulfonium) salt",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:81591-81-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=81591-81-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Glyphosate trimethylsulfonium salt",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:81591-81-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=81591-81-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Glyphosate-trimesium",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:81591-81-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=81591-81-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Medallon",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:81591-81-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=81591-81-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "N-Phosphonomethylglycine monotrimethylsulfonium salt",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:81591-81-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=81591-81-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Ouragan",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:81591-81-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=81591-81-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Sulfonium, trimethyl-, salt with N-(phosphonomethyl)glycine (1:1)",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:81591-81-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=81591-81-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Sulfosate",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:81591-81-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=81591-81-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Touchdown",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:81591-81-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=81591-81-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Trimethylsulfonium glyphosate",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:81591-81-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=81591-81-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Sulfosate",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "bootstrap_labels",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "legacy name field"
}
}
],
"properties": {
"https://w3id.org/chemrof/molecular_formula": {
"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"C6H16NO5PS"
],
"attested_by": {
"C6H16NO5PS": [
"enrich_references.pubchem_semantic",
"rdkit_post_consensus"
]
},
"rdfs:label": "Molecular formula",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:105048",
"CID:24838536",
"CID:76965329"
],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"C[S+](C)C.O=C([O-])CNCP(=O)(O)O"
]
}
]
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"RUCAXVJJQQJZGU-UHFFFAOYSA-M"
],
"attested_by": {
"RUCAXVJJQQJZGU-UHFFFAOYSA-M": [
"enrich_references.pubchem_semantic",
"rdkit_post_consensus"
]
},
"rdfs:label": "InChIKey",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:105048",
"CID:24838536",
"CID:76965329"
],
"prov:wasDerivedFrom": "pubchem.props.InChIKey"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"C[S+](C)C.O=C([O-])CNCP(=O)(O)O"
]
}
]
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"rdfs:label": "SMILES",
"@value": [
"C[S+](C)C.O=C([O-])CNCP(=O)(O)O"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"N-Phosphonomethylglycine monotrimethylsulfonium salt"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"C[S+](C)C.O=C([O-])CNCP(=O)(O)O"
]
}
],
"attested_by": {
"C[S+](C)C.O=C([O-])CNCP(=O)(O)O": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
"rdfs:label": "InChI",
"@value": [
"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"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"N-Phosphonomethylglycine monotrimethylsulfonium salt"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"C[S+](C)C.O=C([O-])CNCP(=O)(O)O"
]
}
],
"attested_by": {
"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": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"rdfs:label": "IUPAC name",
"@value": [
"N-Phosphonomethylglycine monotrimethylsulfonium salt"
],
"provenance": {
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"N-Phosphonomethylglycine monotrimethylsulfonium salt"
]
},
"attested_by": {
"N-Phosphonomethylglycine monotrimethylsulfonium salt": [
"opsin_iupac"
]
}
},
"https://w3id.org/chemrof/molecular_mass": {
"@id": "https://w3id.org/chemrof/molecular_mass",
"rdfs:label": "Molecular mass",
"@value": [
245.237
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"C[S+](C)C.C(C(=O)O)NCP(=O)(O)[O-]"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"C[S+](C)C.O=C([O-])CNCP(=O)(O)O"
]
}
],
"attested_by": {
"245.237": [
"rdkit_post_consensus",
"rdkit_pre_consensus"
]
},
"http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
},
"https://w3id.org/chemrof/monoisotopic_mass": {
"@id": "https://w3id.org/chemrof/monoisotopic_mass",
"rdfs:label": "Monoisotopic mass",
"@value": [
245.04868
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"C[S+](C)C.C(C(=O)O)NCP(=O)(O)[O-]"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"C[S+](C)C.O=C([O-])CNCP(=O)(O)O"
]
}
],
"attested_by": {
"245.04868": [
"rdkit_post_consensus",
"rdkit_pre_consensus"
]
},
"http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
}
},
"references": [
{
"@id": "https://chem.echa.europa.eu/100.113.346",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:105048;CAS:81591-81-3"
],
"prov:wasDerivedFrom": "pubchem.identifiers[81591-81-3]"
}
},
{
"@id": "https://chem.echa.europa.eu/100.130.095",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:105048;CAS:81591-81-3"
],
"prov:wasDerivedFrom": "pubchem.identifiers[81591-81-3]"
}
},
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=81591-81-3",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:105048;CAS:81591-81-3"
],
"prov:wasDerivedFrom": "pubchem.identifiers[81591-81-3]"
}
},
{
"@id": "https://comptox.epa.gov/dashboard/DTXSID5034939",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:105048;CAS:81591-81-3"
],
"prov:wasDerivedFrom": "pubchem.identifiers[81591-81-3]"
}
},
{
"@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/93B42P85LG",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:76965329;CAS:81591-81-3"
],
"prov:wasDerivedFrom": "pubchem.identifiers[81591-81-3]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/105048",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:105048;CAS:81591-81-3"
],
"prov:wasDerivedFrom": "pubchem.by_cas[81591-81-3]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/24838536",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:24838536;CAS:81591-81-3"
],
"prov:wasDerivedFrom": "pubchem.by_cas[81591-81-3]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/76965329",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:76965329;CAS:81591-81-3"
],
"prov:wasDerivedFrom": "pubchem.by_cas[81591-81-3]"
}
},
{
"@id": "https://www.wikidata.org/wiki/Q22829365",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:105048;CAS:81591-81-3"
],
"prov:wasDerivedFrom": "pubchem.identifiers[81591-81-3]"
}
}
],
"created_from": {
"resolver": "hybrid_name_cas_v1",
"seed_uuid": "08a91e70-3ddc-11dd-943f-0050c2490048",
"seed_source": "EF 3.1",
"semantic_typing": {
"rule": "multi_component_ionic",
"reason": "",
"types": [
"https://w3id.org/chemrof/ChemicalSalt"
],
"provenance": {
"prov:wasGeneratedBy": "semantic_typing.classify",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:wasDerivedFrom": "semantic_typing.rule.multi_component_ionic"
}
}
},
"classifications": {
"http://semanticscience.org/resource/CHEMINF_000446": {
"@value": [
"81591-81-3"
],
"rdfs:seeAlso": [
"https://commonchemistry.cas.org/detail?cas_rn=81591-81-3"
],
"http://www.w3.org/2004/02/skos/core#exactMatch": [
{
"@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"
]
}
Something wrong here?
- This substance is published under the wrong name
- This is not that chemical
- This record is two substances, or it is a second copy of one
You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works