Thiourea
Everything that changed this flow. Back to the flow
fe0acd60-3ddc-11dd-a33c-0050c2490048
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 | 3 | chebi_altlabels, consensus_match, strip_catalogue_altlabels | Removed 1 catalogue altLabel value(s): 'NSC 5033' (registry code) |
| prefLabel | 2 | bootstrap_labels, normalize_name_case | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| cas_match_labels | 1 | consensus_match | group_key=thiourea||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'62-56-6': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-40694082381c38f1: {'62-56-6': '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 soil > Emissions to agricultural soil |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to agricultural soil |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['62-56-6']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_36946']; candidate_pubchem_cids=[2723790]; selected_pubchem_cids=[2723790]; 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
20| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 6,719 | bootstrap_labels | prefLabel | — | [{"@value":"thiourea","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"conse… | Bootstrapped prefLabel from legacy name field |
| 6,720 | bootstrap_labels | name | thiourea | — | Purged legacy name field to enforce prefLabel usage |
| 6,721 | bootstrap_labels | synonyms | [".beta.-Thiopseudourea","2-Thiopseudourea","2-Thiourea","AB1002592","AC1MC3M0","AC1Q50EE","AKOS000269032","BIT4110","C… | [] | Removed legacy synonyms field in favor of structured labels |
| 204,888 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Ground","geography":"Agricultural"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to agricultural soil |
| 204,889 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-grou-agri | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to agricultural soil |
| 215,582 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 222,634 | normalize_name_case | prefLabel | [{"@value":"thiourea","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"conse… | [{"@value":"Thiourea","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"conse… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 233,627 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["CH4N2S"],"… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 233,628 | enrich_references | skos_definition | — | [{"@value":"The simplest member of the thiourea class, consisting of urea with the oxygen atom substituted by sulfur.",… | Merged ChEBI/PubChem definitions into skos:definition |
| 233,629 | enrich_references | references | [] | [{"@id":"gmelin:1604","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedTo":"conse… | Added references with provenance; cas_numbers=['62-56-6']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_36946']; candidate_pubchem_cids=[2723790]; selected_pubchem_cids=[2723790]; 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 |
| 250,176 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["CH4N2S"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["CH4N2S"],"… | rdkit_pre_consensus from 'C(=S)(N)N'; added: monoisotopic_mass |
| 255,208 | chebi_altlabels | altLabel | [] | [{"@value":"2-thiourea","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"cons… | Added 11 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 272,604 | consensus_match | altLabel | [{"@value":"2-thiourea","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"cons… | [{"@value":"2-thiourea","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"cons… | group_key=thiourea||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=62-56-6; added Common Chemistry CAS names as altLabel: Isothiourea, MeSH ID: D013890, NSC 5033, Pseudothiourea, Pseudourea (NH<sub>2</sub>.C(OH):NH), thio-, Pseudourea, 2-thio-, THU, TsIZP 34, Urea, thio-, β-Thiopseudourea; object_uuid=fo-40694082381c38f1 |
| 272,605 | consensus_match | cas_match_labels | — | {"62-56-6":"exactMatch"} | group_key=thiourea||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'62-56-6': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-40694082381c38f1: {'62-56-6': 'exactMatch'} |
| 275,312 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["CH4N2S"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["CH4N2S"],"… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Thiourea' |
| 281,822 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["CH4N2S"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["CH4N2S"],"… | rdkit_post_consensus from 'NC(N)=S'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 288,628 | strip_catalogue_altlabels | altLabel | [{"@value":"2-thiourea","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"cons… | [{"@value":"2-thiourea","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"cons… | Removed 1 catalogue altLabel value(s): 'NSC 5033' (registry code) |
| 383,478 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/fe0acd60-3ddc-… | associations resolved on the elementary layer |
| 389,615 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["CH4N2S"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["CH4N2S"],"… | typed the way the ontology types it |
| 396,843 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
PROV-O trail
20 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/20260821T1302361922970000/6719 | prefLabel | ef:agent/bootstrap_labels | ef:flow/fe0acd60-3ddc-11dd-a33c-0050c2490048/v0 | ef:flow/fe0acd60-3ddc-11dd-a33c-0050c2490048/v1 |
| ef:activity/change/20260821T1302361922970000/6720 | name | ef:agent/bootstrap_labels | ef:flow/fe0acd60-3ddc-11dd-a33c-0050c2490048/v1 | ef:flow/fe0acd60-3ddc-11dd-a33c-0050c2490048/v2 |
| ef:activity/change/20260821T1302361922970000/6721 | synonyms | ef:agent/bootstrap_labels | ef:flow/fe0acd60-3ddc-11dd-a33c-0050c2490048/v2 | ef:flow/fe0acd60-3ddc-11dd-a33c-0050c2490048/v3 |
| ef:activity/change/20260821T1302361922970000/204888 | context | ef:agent/default_context_mapping | ef:flow/fe0acd60-3ddc-11dd-a33c-0050c2490048/v3 | ef:flow/fe0acd60-3ddc-11dd-a33c-0050c2490048/v4 |
| ef:activity/change/20260821T1302361922970000/204889 | context_iri | ef:agent/default_context_mapping | ef:flow/fe0acd60-3ddc-11dd-a33c-0050c2490048/v4 | ef:flow/fe0acd60-3ddc-11dd-a33c-0050c2490048/v5 |
| ef:activity/change/20260821T1302361922970000/215582 | unit_iri | ef:agent/unit_normalization | ef:flow/fe0acd60-3ddc-11dd-a33c-0050c2490048/v5 | ef:flow/fe0acd60-3ddc-11dd-a33c-0050c2490048/v6 |
| ef:activity/change/20260821T1302361922970000/222634 | prefLabel | ef:agent/normalize_name_case | ef:flow/fe0acd60-3ddc-11dd-a33c-0050c2490048/v6 | ef:flow/fe0acd60-3ddc-11dd-a33c-0050c2490048/v7 |
| ef:activity/change/20260821T1302361922970000/233627 | properties | ef:agent/enrich_references | ef:flow/fe0acd60-3ddc-11dd-a33c-0050c2490048/v7 | ef:flow/fe0acd60-3ddc-11dd-a33c-0050c2490048/v8 |
| ef:activity/change/20260821T1302361922970000/233628 | skos_definition | ef:agent/enrich_references | ef:flow/fe0acd60-3ddc-11dd-a33c-0050c2490048/v8 | ef:flow/fe0acd60-3ddc-11dd-a33c-0050c2490048/v9 |
| ef:activity/change/20260821T1302361922970000/233629 | references | ef:agent/enrich_references | ef:flow/fe0acd60-3ddc-11dd-a33c-0050c2490048/v9 | ef:flow/fe0acd60-3ddc-11dd-a33c-0050c2490048/v10 |
| ef:activity/change/20260821T1302361922970000/250176 | properties | ef:agent/rdkit_pre_consensus | ef:flow/fe0acd60-3ddc-11dd-a33c-0050c2490048/v10 | ef:flow/fe0acd60-3ddc-11dd-a33c-0050c2490048/v11 |
| ef:activity/change/20260821T1302361922970000/255208 | altLabel | ef:agent/chebi_altlabels | ef:flow/fe0acd60-3ddc-11dd-a33c-0050c2490048/v11 | ef:flow/fe0acd60-3ddc-11dd-a33c-0050c2490048/v12 |
| ef:activity/change/20260821T1302361922970000/272604 | altLabel | ef:agent/consensus_match | ef:flow/fe0acd60-3ddc-11dd-a33c-0050c2490048/v12 | ef:flow/fe0acd60-3ddc-11dd-a33c-0050c2490048/v13 |
| ef:activity/change/20260821T1302361922970000/272605 | cas_match_labels | ef:agent/consensus_match | ef:flow/fe0acd60-3ddc-11dd-a33c-0050c2490048/v13 | ef:flow/fe0acd60-3ddc-11dd-a33c-0050c2490048/v14 |
| ef:activity/change/20260821T1302361922970000/275312 | properties | ef:agent/opsin_iupac | ef:flow/fe0acd60-3ddc-11dd-a33c-0050c2490048/v14 | ef:flow/fe0acd60-3ddc-11dd-a33c-0050c2490048/v15 |
| ef:activity/change/20260821T1302361922970000/281822 | properties | ef:agent/rdkit_post_consensus | ef:flow/fe0acd60-3ddc-11dd-a33c-0050c2490048/v15 | ef:flow/fe0acd60-3ddc-11dd-a33c-0050c2490048/v16 |
| ef:activity/change/20260821T1302361922970000/288628 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/fe0acd60-3ddc-11dd-a33c-0050c2490048/v16 | ef:flow/fe0acd60-3ddc-11dd-a33c-0050c2490048/v17 |
| ef:activity/change/20260821T1302361922970000/383478 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/fe0acd60-3ddc-11dd-a33c-0050c2490048/v17 | ef:flow/fe0acd60-3ddc-11dd-a33c-0050c2490048/v18 |
| ef:activity/change/20260821T1302361922970000/389615 | properties | ef:agent/normalise_property_values | ef:flow/fe0acd60-3ddc-11dd-a33c-0050c2490048/v18 | ef:flow/fe0acd60-3ddc-11dd-a33c-0050c2490048/v19 |
| ef:activity/change/20260821T1302361922970000/396843 | types | ef:agent/link_flows_to_their_substance | ef:flow/fe0acd60-3ddc-11dd-a33c-0050c2490048/v19 | ef:flow/fe0acd60-3ddc-11dd-a33c-0050c2490048/v20 |