1,3-dimethyl-2-thiourea
Everything that changed this flow. Back to the flow
813d5115-b593-432e-a159-f92f11587759
By field
13 fields| Field | Changes | Written by | Latest note |
|---|---|---|---|
| properties | 5 | enrich_references, normalise_property_values, opsin_iupac, rdkit_post_consensus, rdkit_pre_consensus | typed the way the ontology types it |
| altLabel | 2 | consensus_match, strip_catalogue_altlabels | Removed 1 catalogue altLabel value(s): 'NSC 8727' (registry code) |
| cas_match_labels | 1 | consensus_match | group_key=1,3-dimethyl-2-thiourea||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['ec_inventory', 'pubchem']; cas_sources={'534-13-4': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-b4f6ad04875d0a18: {'534-13-4': 'exactMatch'} |
| concept_associations | 1 | carry_associations_onto_flows | associations resolved on the elementary layer |
| context | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to urban air close to ground |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to urban air close to ground |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| prefLabel | 1 | bootstrap_labels | Bootstrapped prefLabel from legacy name field |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['534-13-4']; matched_chebi_ids=[]; candidate_pubchem_cids=[2723631, 3034192, 15571104]; selected_pubchem_cids=[2723631]; formula_similarity_expected=[]; pubchem_selection_rule=curated_cas_then_formula_similarity_then_prefer_chebi_aligned_when_unambiguous_else_keep_all_cas_matches; single_cas_commonchem_link=yes |
| skos_definition | 1 | enrich_references | Merged ChEBI/PubChem definitions into skos:definition |
| synonyms | 1 | bootstrap_labels | Removed legacy synonyms field in favor of structured labels |
| types | 1 | link_flows_to_their_substance | the substance's answer, copied onto its flow |
| unit_iri | 1 | unit_normalization | Unit IRI set from normalization of 'kg' |
Where several steps wrote one field, the last one won — and the log below shows the sequence.
Changes
18| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 9,633 | bootstrap_labels | prefLabel | — | [{"@value":"1,3-dimethyl-2-thiourea","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttri… | Bootstrapped prefLabel from legacy name field |
| 9,634 | bootstrap_labels | name | 1,3-dimethyl-2-thiourea | — | Purged legacy name field to enforce prefLabel usage |
| 9,635 | bootstrap_labels | synonyms | ["1,3-Dimethylisothiourea","1,3-Dimethylthiourea","AB1002272","AC1MC39R","AC1Q40R9","DMTU","Dimethyl-2-thiourea","Dimet… | [] | Removed legacy synonyms field in favor of structured labels |
| 126,588 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Ground level","population_density":"Urban (>1000 people/square mil… | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to urban air close to ground |
| 126,589 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-grle-ur10pesq | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to urban air close to ground |
| 216,540 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 236,386 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H8N2S"],… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 236,387 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 236,388 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J9.407B","provenance":{"prov:wasGeneratedBy":"enrich_reference… | Added references with provenance; cas_numbers=['534-13-4']; matched_chebi_ids=[]; candidate_pubchem_cids=[2723631, 3034192, 15571104]; selected_pubchem_cids=[2723631]; formula_similarity_expected=[]; pubchem_selection_rule=curated_cas_then_formula_similarity_then_prefer_chebi_aligned_when_unambiguous_else_keep_all_cas_matches; single_cas_commonchem_link=yes |
| 250,961 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H8N2S"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H8N2S"],… | rdkit_pre_consensus from 'CNC(=S)NC'; added: molecular_mass, monoisotopic_mass |
| 258,580 | consensus_match | altLabel | [] | [{"@value":"1,3-Dimethylisothiourea","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttrib… | group_key=1,3-dimethyl-2-thiourea||dimension=Environmental > media=Water > water_body=Surface water; cas=534-13-4; added Common Chemistry CAS names as altLabel: 1,3-Dimethylisothiourea, 1,3-Dimethylthiourea, <em>N</em>,<em>N</em>′-Dimethylthiourea, <em>sym</em>-Dimethylthiourea, Dimethylthiocarbamide, NSC 8727, Thiourea, <em>N</em>,<em>N</em>′-dimethyl-, Urea, 1,3-dimethyl-2-thio-; object_uuid=fo-b4f6ad04875d0a18 |
| 258,581 | consensus_match | cas_match_labels | — | {"534-13-4":"exactMatch"} | group_key=1,3-dimethyl-2-thiourea||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['ec_inventory', 'pubchem']; cas_sources={'534-13-4': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-b4f6ad04875d0a18: {'534-13-4': 'exactMatch'} |
| 276,146 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H8N2S"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H8N2S"],… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '1,3-dimethyl-2-thiourea' |
| 282,723 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H8N2S"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H8N2S"],… | rdkit_post_consensus from 'CNC(=S)NC'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 289,268 | strip_catalogue_altlabels | altLabel | [{"@value":"1,3-Dimethylisothiourea","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttrib… | [{"@value":"1,3-Dimethylisothiourea","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttrib… | Removed 1 catalogue altLabel value(s): 'NSC 8727' (registry code) |
| 344,289 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/813d5115-b593-… | associations resolved on the elementary layer |
| 390,487 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H8N2S"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H8N2S"],… | typed the way the ontology types it |
| 398,114 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
PROV-O trail
18 activitiesOne activity per change: which version of the flow it consumed, and which it produced. The values are on the change with the same number — stored once, not twice.
| Activity | Field | Agent | Used | Generated |
|---|---|---|---|---|
| ef:activity/change/20260820T1812399309960000/9633 | prefLabel | ef:agent/bootstrap_labels | ef:flow/813d5115-b593-432e-a159-f92f11587759/v0 | ef:flow/813d5115-b593-432e-a159-f92f11587759/v1 |
| ef:activity/change/20260820T1812399309960000/9634 | name | ef:agent/bootstrap_labels | ef:flow/813d5115-b593-432e-a159-f92f11587759/v1 | ef:flow/813d5115-b593-432e-a159-f92f11587759/v2 |
| ef:activity/change/20260820T1812399309960000/9635 | synonyms | ef:agent/bootstrap_labels | ef:flow/813d5115-b593-432e-a159-f92f11587759/v2 | ef:flow/813d5115-b593-432e-a159-f92f11587759/v3 |
| ef:activity/change/20260820T1812399309960000/126588 | context | ef:agent/default_context_mapping | ef:flow/813d5115-b593-432e-a159-f92f11587759/v3 | ef:flow/813d5115-b593-432e-a159-f92f11587759/v4 |
| ef:activity/change/20260820T1812399309960000/126589 | context_iri | ef:agent/default_context_mapping | ef:flow/813d5115-b593-432e-a159-f92f11587759/v4 | ef:flow/813d5115-b593-432e-a159-f92f11587759/v5 |
| ef:activity/change/20260820T1812399309960000/216540 | unit_iri | ef:agent/unit_normalization | ef:flow/813d5115-b593-432e-a159-f92f11587759/v5 | ef:flow/813d5115-b593-432e-a159-f92f11587759/v6 |
| ef:activity/change/20260820T1812399309960000/236386 | properties | ef:agent/enrich_references | ef:flow/813d5115-b593-432e-a159-f92f11587759/v6 | ef:flow/813d5115-b593-432e-a159-f92f11587759/v7 |
| ef:activity/change/20260820T1812399309960000/236387 | skos_definition | ef:agent/enrich_references | ef:flow/813d5115-b593-432e-a159-f92f11587759/v7 | ef:flow/813d5115-b593-432e-a159-f92f11587759/v8 |
| ef:activity/change/20260820T1812399309960000/236388 | references | ef:agent/enrich_references | ef:flow/813d5115-b593-432e-a159-f92f11587759/v8 | ef:flow/813d5115-b593-432e-a159-f92f11587759/v9 |
| ef:activity/change/20260820T1812399309960000/250961 | properties | ef:agent/rdkit_pre_consensus | ef:flow/813d5115-b593-432e-a159-f92f11587759/v9 | ef:flow/813d5115-b593-432e-a159-f92f11587759/v10 |
| ef:activity/change/20260820T1812399309960000/258580 | altLabel | ef:agent/consensus_match | ef:flow/813d5115-b593-432e-a159-f92f11587759/v10 | ef:flow/813d5115-b593-432e-a159-f92f11587759/v11 |
| ef:activity/change/20260820T1812399309960000/258581 | cas_match_labels | ef:agent/consensus_match | ef:flow/813d5115-b593-432e-a159-f92f11587759/v11 | ef:flow/813d5115-b593-432e-a159-f92f11587759/v12 |
| ef:activity/change/20260820T1812399309960000/276146 | properties | ef:agent/opsin_iupac | ef:flow/813d5115-b593-432e-a159-f92f11587759/v12 | ef:flow/813d5115-b593-432e-a159-f92f11587759/v13 |
| ef:activity/change/20260820T1812399309960000/282723 | properties | ef:agent/rdkit_post_consensus | ef:flow/813d5115-b593-432e-a159-f92f11587759/v13 | ef:flow/813d5115-b593-432e-a159-f92f11587759/v14 |
| ef:activity/change/20260820T1812399309960000/289268 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/813d5115-b593-432e-a159-f92f11587759/v14 | ef:flow/813d5115-b593-432e-a159-f92f11587759/v15 |
| ef:activity/change/20260820T1812399309960000/344289 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/813d5115-b593-432e-a159-f92f11587759/v15 | ef:flow/813d5115-b593-432e-a159-f92f11587759/v16 |
| ef:activity/change/20260820T1812399309960000/390487 | properties | ef:agent/normalise_property_values | ef:flow/813d5115-b593-432e-a159-f92f11587759/v16 | ef:flow/813d5115-b593-432e-a159-f92f11587759/v17 |
| ef:activity/change/20260820T1812399309960000/398114 | types | ef:agent/link_flows_to_their_substance | ef:flow/813d5115-b593-432e-a159-f92f11587759/v17 | ef:flow/813d5115-b593-432e-a159-f92f11587759/v18 |