Triazamate
9edac18583ff76da2a46aa21a786f5cdbab9ee44
Identity
- Substance
- fo-7247f2c59edc9035 Neutral molecule
- Source
- agribalyse algorithm addition
- Unit
- kg
- Context
- Environmental → Water → River
- CAS
- 112143-82-5
- EC
- —
Context
- Dimension
- Environmental
- Media
- Water
- Water body
- River
Alternative labels
2- ethyl {[3-tert-butyl-1-(dimethylcarbamoyl)-1H-1,2,4-triazol-5-yl]sulfanyl}acetate
- Triazuron
Source lists
1| List | Version | Source flow | Name there | Why this flow |
|---|---|---|---|---|
| agribalyse | 3.2 | 3ea411cc-8c13-570d-995f-6e1fe9d2c037 | Triazamate | The CAS numbers are the same (112143-82-5); no flow of this substance sat in that compartment, so this one was created for the row. |
Concept associations
1| Source list | Source flow | Name there | Compartment there | Match | Conversion |
|---|---|---|---|---|---|
| agribalyse 3.2 | 3ea411cc-8c13-570d-995f-6e1fe9d2c037 | Triazamate | Emissions to water / river | exactMatch | — |
History
The change log and the PROV-O trail (0 consensus changes)
These are the heaviest sections of this page and the least often read, so the page does not pay for them until you ask.
Full record
Flow JSON
{
"uuid": "9edac18583ff76da2a46aa21a786f5cdbab9ee44",
"identifier": "",
"name": "Triazamate",
"source": "agribalyse algorithm addition",
"cas_numbers": [
"112143-82-5"
],
"ec_numbers": [],
"context": {
"dimension": "Environmental",
"media": "Water",
"water_body": "River"
},
"synonyms": [],
"lcia_methods": [],
"unit": "kg",
"input_datasets": [],
"prefLabel": [
{
"@value": "Triazamate",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "bootstrap_labels",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"ecoinvent-3.12"
],
"prov:wasDerivedFrom": "legacy name field"
}
}
],
"altLabel": [
{
"@value": "ethyl {[3-tert-butyl-1-(dimethylcarbamoyl)-1H-1,2,4-triazol-5-yl]sulfanyl}acetate",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "chebi_altlabels",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"ecoinvent-3.12",
"http://purl.obolibrary.org/obo/CHEBI_38576"
],
"prov:wasDerivedFrom": "chebi synonym match"
}
},
{
"@value": "Triazuron",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "chebi_altlabels",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"ecoinvent-3.12",
"http://purl.obolibrary.org/obo/CHEBI_38576"
],
"prov:wasDerivedFrom": "chebi synonym match"
}
}
],
"context_iri": "https://vocab.brightway.one/flow-contexts/envi-wate-rive",
"unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
"flow_object_id": "fo-7247f2c59edc9035",
"properties": {
"https://w3id.org/chemrof/molecular_formula": {
"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"C13H22N4O3S"
],
"attested_by": {
"C13H22N4O3S": [
"enrich_references.chebi_semantic",
"rdkit_post_consensus"
]
},
"rdfs:label": "Molecular formula",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.chebi_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_38576"
],
"prov:wasDerivedFrom": "chebi.basic_property_values.generalized_empirical_formula"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCOC(=O)CSc1nc(C(C)(C)C)nn1C(=O)N(C)C"
]
}
]
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"rdfs:label": "SMILES",
"@value": [
"CCOC(=O)CSc1nc(C(C)(C)C)nn1C(=O)N(C)C"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"ethyl {[3-tert-butyl-1-(dimethylcarbamoyl)-1H-1,2,4-triazol-5-yl]sulfanyl}acetate"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCOC(=O)CSc1nc(C(C)(C)C)nn1C(=O)N(C)C"
]
}
],
"attested_by": {
"CCOC(=O)CSc1nc(C(C)(C)C)nn1C(=O)N(C)C": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
"rdfs:label": "InChI",
"@value": [
"InChI=1S/C13H22N4O3S/c1-7-20-9(18)8-21-11-14-10(13(2,3)4)15-17(11)12(19)16(5)6/h7-8H2,1-6H3"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"ethyl {[3-tert-butyl-1-(dimethylcarbamoyl)-1H-1,2,4-triazol-5-yl]sulfanyl}acetate"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCOC(=O)CSc1nc(C(C)(C)C)nn1C(=O)N(C)C"
]
}
],
"attested_by": {
"InChI=1S/C13H22N4O3S/c1-7-20-9(18)8-21-11-14-10(13(2,3)4)15-17(11)12(19)16(5)6/h7-8H2,1-6H3": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"NKNFWVNSBIXGLL-UHFFFAOYSA-N"
],
"attested_by": {
"NKNFWVNSBIXGLL-UHFFFAOYSA-N": [
"enrich_references.chebi_semantic",
"rdkit_post_consensus"
]
},
"rdfs:label": "InChIKey",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.chebi_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_38576"
],
"prov:wasDerivedFrom": "chebi.basic_property_values.inchi_key_string"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCOC(=O)CSc1nc(C(C)(C)C)nn1C(=O)N(C)C"
]
}
]
},
"https://w3id.org/chemrof/molecular_mass": {
"@id": "https://w3id.org/chemrof/molecular_mass",
"@value": [
314.411
],
"attested_by": {
"314.411": [
"enrich_references.chebi_semantic",
"rdkit_post_consensus"
]
},
"rdfs:label": "Molecular mass",
"http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.chebi_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_38576"
],
"prov:wasDerivedFrom": "chebi.basic_property_values.mass"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCOC(=O)CSc1nc(C(C)(C)C)nn1C(=O)N(C)C"
]
}
]
},
"https://w3id.org/chemrof/monoisotopic_mass": {
"@id": "https://w3id.org/chemrof/monoisotopic_mass",
"@value": [
314.14126,
314.141262
],
"attested_by": {
"314.14126": [
"enrich_references.chebi_semantic"
],
"314.141262": [
"rdkit_post_consensus",
"rdkit_pre_consensus"
]
},
"rdfs:label": "Monoisotopic mass",
"http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.chebi_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_38576"
],
"prov:wasDerivedFrom": "chebi.basic_property_values.monoisotopic_mass"
},
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCOC(=O)CSc1nc(C(C)(C)C)nn1C(=O)N(C)C"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCOC(=O)CSc1nc(C(C)(C)C)nn1C(=O)N(C)C"
]
}
]
},
"https://w3id.org/chemrof/elemental_charge": {
"@id": "https://w3id.org/chemrof/elemental_charge",
"@value": [
0
],
"attested_by": {
"0": [
"enrich_references.chebi_semantic"
]
},
"rdfs:label": "Elemental charge",
"http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/NUM",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.chebi_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_38576"
],
"prov:wasDerivedFrom": "chebi.basic_property_values.charge"
}
},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"rdfs:label": "IUPAC name",
"@value": [
"ethyl {[3-tert-butyl-1-(dimethylcarbamoyl)-1H-1,2,4-triazol-5-yl]sulfanyl}acetate"
],
"provenance": {
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"ethyl {[3-tert-butyl-1-(dimethylcarbamoyl)-1H-1,2,4-triazol-5-yl]sulfanyl}acetate"
]
},
"attested_by": {
"ethyl {[3-tert-butyl-1-(dimethylcarbamoyl)-1H-1,2,4-triazol-5-yl]sulfanyl}acetate": [
"opsin_iupac"
]
}
}
},
"references": [
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=112143-82-5",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.chebi_xrefs",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_38576"
],
"prov:wasDerivedFrom": "chebi.xrefs_urls"
}
},
{
"@id": "https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:38576",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.chebi_id_link",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_38576"
],
"prov:wasDerivedFrom": "chebi.id"
}
},
{
"@id": "https://www.genome.jp/entry/C18770",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.chebi_xrefs",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_38576"
],
"prov:wasDerivedFrom": "chebi.xrefs_urls"
}
},
{
"@id": "ppdb:652",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.chebi_xrefs",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_38576"
],
"prov:wasDerivedFrom": "chebi.xrefs_urls"
}
}
],
"concept_associations": [
{
"@type": "xkos:ConceptAssociation",
"xkos:sourceConcept": {
"@id": "https://vocab.brightway.one/agribalyse/3.2/flow/3ea411cc-8c13-570d-995f-6e1fe9d2c037",
"skos:prefLabel": "Triazamate",
"context": "Emissions to water / river",
"qudt:hasUnit": {
"@id": "https://vocab.brightway.one/units/unit/KiloGM"
},
"skos:exactMatch": {
"@id": "https://vocab.brightway.dev/elementary-flows/9edac18583ff76da2a46aa21a786f5cdbab9ee44"
}
},
"xkos:targetConcept": {
"@id": "https://vocab.brightway.dev/elementary-flows/9edac18583ff76da2a46aa21a786f5cdbab9ee44"
},
"provenance": {
"prov:wasGeneratedBy": "merge_agribalyse",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"agribalyse:3.2:3ea411cc-8c13-570d-995f-6e1fe9d2c037",
"Triazamate",
"",
"algorithm.lookup_order=cas>ec>label",
"algorithm.basis=cas:112143-82-5",
"algorithm.flow_object_candidates=1",
"algorithm.elementary_candidates=7",
"algorithm.selector_reason=new-elementary-flow-created",
"algorithm.score_rule=exact-iri-shortcircuit;up-tree-filter;score=(2*unit_exact)+context_overlap-context_penalty+context_iri_exact;contradiction-veto",
"algorithm.winning_score=3",
"algorithm.tie_on_top_score=true"
],
"prov:wasDerivedFrom": "algorithmic_fallback:lookup_order(cas>ec>label);basis(cas:112143-82-5);flow_object_candidates(1);elementary_candidates(7);selector(new-elementary-flow-created);exact-iri-shortcircuit;up-tree-filter;score=(2*unit_exact)+context_overlap-context_penalty+context_iri_exact;contradiction-veto"
}
}
],
"http://www.w3.org/2004/02/skos/core#definition": [
{
"@value": "A triazole insecticide that is 1H-1,2,4-triazole which is substituted at positions 1, 3, and 5 by N,N-dimethylaminocarbonyl, tert-butyl, and (2-ethoxy-2-oxoethyl)sulfanediyl groups, respectively.",
"@language": "en",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.chebi_definition",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_38576"
],
"prov:wasDerivedFrom": "chebi.definition"
}
}
],
"_sources": {},
"cas_match_labels": {},
"general_comment": "",
"http://purl.obolibrary.org/obo/RO_0000087": [
{
"@id": "http://purl.obolibrary.org/obo/CHEBI_24852",
"rdfs:label": "insecticide",
"http://www.w3.org/2004/02/skos/core#definition": "Strictly, a substance intended to kill members of the class <em>Insecta</em>. In common usage, any substance used for preventing, destroying, repelling or controlling insects.",
"provenance": {
"prov:wasGeneratedBy": "chebi_roles",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"ChEBI"
],
"prov:wasDerivedFrom": "http://semanticscience.org/resource/CHEMINF_000446 -> ChEBI RO:0000087"
}
},
{
"@id": "http://purl.obolibrary.org/obo/CHEBI_25944",
"rdfs:label": "pesticide",
"http://www.w3.org/2004/02/skos/core#definition": "Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests.",
"provenance": {
"prov:wasGeneratedBy": "chebi_roles",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"ChEBI"
],
"prov:wasDerivedFrom": "http://semanticscience.org/resource/CHEMINF_000446 -> ChEBI RO:0000087"
}
}
],
"_transformed": false,
"_provided": {
"name": null,
"synonyms": [],
"context": [],
"cas_numbers": [],
"ec_numbers": [],
"unit": null
},
"elementary_flow_id": "9edac18583ff76da2a46aa21a786f5cdbab9ee44",
"@type": [
"https://w3id.org/chemrof/NeutralMolecule"
]
}Something wrong here?
A flow can be wrong in three ways, and they are decided differently. Pick the one that matches what you are looking at.
- A row from my list should not reach this flow
- This flow is not that chemical
- The compartment or the unit is wrong
You do not need to run a build or clone anything. Name the row and say what your evidence is; the measurement is done for you. How contributing works