Dibromoacetic Acid
Everything that changed this flow. Back to the flow
14d51818-f175-48f0-9825-06e1dcb6df1a
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 | chebi_altlabels, consensus_match | group_key=dibromoaceticacid||dimension=Environmental > media=Water > water_body=Ocean; cas=631-64-1; added Common Chemistry CAS names as altLabel: Acetic acid, 2,2-dibromo-, Acetic acid, dibromo-; object_uuid=fo-96bb1622bfd4038d |
| 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=dibromoaceticacid||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'631-64-1': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-96bb1622bfd4038d: {'631-64-1': '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 water > Emissions to water, unspecified (long-term) |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified (long-term) |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['631-64-1']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_90124']; candidate_pubchem_cids=[12433]; selected_pubchem_cids=[12433]; 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
19| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 12,975 | bootstrap_labels | prefLabel | — | [{"@value":"dibromoacetic acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributed… | Bootstrapped prefLabel from legacy name field |
| 12,976 | bootstrap_labels | name | dibromoacetic acid | — | Purged legacy name field to enforce prefLabel usage |
| 12,977 | bootstrap_labels | synonyms | ["2,2-dibromoacetic acid","AC1L1ZL3","AKOS000119767","Acetic acid, 2,2-dibromo-","Acetic acid, dibromo-","Dibromoacetat… | [] | Removed legacy synonyms field in favor of structured labels |
| 49,684 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Long-term"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified (long-term) |
| 49,685 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-lote | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified (long-term) |
| 217,630 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 224,097 | normalize_name_case | prefLabel | [{"@value":"dibromoacetic acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributed… | [{"@value":"Dibromoacetic Acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributed… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 239,492 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2H2Br2O2"… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 239,493 | enrich_references | skos_definition | — | [{"@value":"A monocarboxylic acid that is acetic acid in which two of the methyl hydrogens are replaced by bromo groups… | Merged ChEBI/PubChem definitions into skos:definition |
| 239,494 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J531B","provenance":{"prov:wasGeneratedBy":"enrich_references.… | Added references with provenance; cas_numbers=['631-64-1']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_90124']; candidate_pubchem_cids=[12433]; selected_pubchem_cids=[12433]; 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 |
| 251,856 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2H2Br2O2"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2H2Br2O2"… | rdkit_pre_consensus from 'C(C(=O)O)(Br)Br'; added: monoisotopic_mass |
| 256,159 | chebi_altlabels | altLabel | [] | [{"@value":"2,2-Dibromoacetic acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribu… | Added 4 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 265,712 | consensus_match | altLabel | [{"@value":"2,2-Dibromoacetic acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribu… | [{"@value":"2,2-Dibromoacetic acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribu… | group_key=dibromoaceticacid||dimension=Environmental > media=Water > water_body=Ocean; cas=631-64-1; added Common Chemistry CAS names as altLabel: Acetic acid, 2,2-dibromo-, Acetic acid, dibromo-; object_uuid=fo-96bb1622bfd4038d |
| 265,713 | consensus_match | cas_match_labels | — | {"631-64-1":"exactMatch"} | group_key=dibromoaceticacid||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'631-64-1': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-96bb1622bfd4038d: {'631-64-1': 'exactMatch'} |
| 277,051 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2H2Br2O2"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2H2Br2O2"… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Dibromoacetic Acid' |
| 283,703 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2H2Br2O2"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2H2Br2O2"… | rdkit_post_consensus from 'O=C(O)C(Br)Br'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 305,869 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/14d51818-f175-… | associations resolved on the elementary layer |
| 391,401 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2H2Br2O2"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2H2Br2O2"… | typed the way the ontology types it |
| 399,417 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
PROV-O trail
19 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/20260822T0600486828500000/12975 | prefLabel | ef:agent/bootstrap_labels | ef:flow/14d51818-f175-48f0-9825-06e1dcb6df1a/v0 | ef:flow/14d51818-f175-48f0-9825-06e1dcb6df1a/v1 |
| ef:activity/change/20260822T0600486828500000/12976 | name | ef:agent/bootstrap_labels | ef:flow/14d51818-f175-48f0-9825-06e1dcb6df1a/v1 | ef:flow/14d51818-f175-48f0-9825-06e1dcb6df1a/v2 |
| ef:activity/change/20260822T0600486828500000/12977 | synonyms | ef:agent/bootstrap_labels | ef:flow/14d51818-f175-48f0-9825-06e1dcb6df1a/v2 | ef:flow/14d51818-f175-48f0-9825-06e1dcb6df1a/v3 |
| ef:activity/change/20260822T0600486828500000/49684 | context | ef:agent/default_context_mapping | ef:flow/14d51818-f175-48f0-9825-06e1dcb6df1a/v3 | ef:flow/14d51818-f175-48f0-9825-06e1dcb6df1a/v4 |
| ef:activity/change/20260822T0600486828500000/49685 | context_iri | ef:agent/default_context_mapping | ef:flow/14d51818-f175-48f0-9825-06e1dcb6df1a/v4 | ef:flow/14d51818-f175-48f0-9825-06e1dcb6df1a/v5 |
| ef:activity/change/20260822T0600486828500000/217630 | unit_iri | ef:agent/unit_normalization | ef:flow/14d51818-f175-48f0-9825-06e1dcb6df1a/v5 | ef:flow/14d51818-f175-48f0-9825-06e1dcb6df1a/v6 |
| ef:activity/change/20260822T0600486828500000/224097 | prefLabel | ef:agent/normalize_name_case | ef:flow/14d51818-f175-48f0-9825-06e1dcb6df1a/v6 | ef:flow/14d51818-f175-48f0-9825-06e1dcb6df1a/v7 |
| ef:activity/change/20260822T0600486828500000/239492 | properties | ef:agent/enrich_references | ef:flow/14d51818-f175-48f0-9825-06e1dcb6df1a/v7 | ef:flow/14d51818-f175-48f0-9825-06e1dcb6df1a/v8 |
| ef:activity/change/20260822T0600486828500000/239493 | skos_definition | ef:agent/enrich_references | ef:flow/14d51818-f175-48f0-9825-06e1dcb6df1a/v8 | ef:flow/14d51818-f175-48f0-9825-06e1dcb6df1a/v9 |
| ef:activity/change/20260822T0600486828500000/239494 | references | ef:agent/enrich_references | ef:flow/14d51818-f175-48f0-9825-06e1dcb6df1a/v9 | ef:flow/14d51818-f175-48f0-9825-06e1dcb6df1a/v10 |
| ef:activity/change/20260822T0600486828500000/251856 | properties | ef:agent/rdkit_pre_consensus | ef:flow/14d51818-f175-48f0-9825-06e1dcb6df1a/v10 | ef:flow/14d51818-f175-48f0-9825-06e1dcb6df1a/v11 |
| ef:activity/change/20260822T0600486828500000/256159 | altLabel | ef:agent/chebi_altlabels | ef:flow/14d51818-f175-48f0-9825-06e1dcb6df1a/v11 | ef:flow/14d51818-f175-48f0-9825-06e1dcb6df1a/v12 |
| ef:activity/change/20260822T0600486828500000/265712 | altLabel | ef:agent/consensus_match | ef:flow/14d51818-f175-48f0-9825-06e1dcb6df1a/v12 | ef:flow/14d51818-f175-48f0-9825-06e1dcb6df1a/v13 |
| ef:activity/change/20260822T0600486828500000/265713 | cas_match_labels | ef:agent/consensus_match | ef:flow/14d51818-f175-48f0-9825-06e1dcb6df1a/v13 | ef:flow/14d51818-f175-48f0-9825-06e1dcb6df1a/v14 |
| ef:activity/change/20260822T0600486828500000/277051 | properties | ef:agent/opsin_iupac | ef:flow/14d51818-f175-48f0-9825-06e1dcb6df1a/v14 | ef:flow/14d51818-f175-48f0-9825-06e1dcb6df1a/v15 |
| ef:activity/change/20260822T0600486828500000/283703 | properties | ef:agent/rdkit_post_consensus | ef:flow/14d51818-f175-48f0-9825-06e1dcb6df1a/v15 | ef:flow/14d51818-f175-48f0-9825-06e1dcb6df1a/v16 |
| ef:activity/change/20260822T0600486828500000/305869 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/14d51818-f175-48f0-9825-06e1dcb6df1a/v16 | ef:flow/14d51818-f175-48f0-9825-06e1dcb6df1a/v17 |
| ef:activity/change/20260822T0600486828500000/391401 | properties | ef:agent/normalise_property_values | ef:flow/14d51818-f175-48f0-9825-06e1dcb6df1a/v17 | ef:flow/14d51818-f175-48f0-9825-06e1dcb6df1a/v18 |
| ef:activity/change/20260822T0600486828500000/399417 | types | ef:agent/link_flows_to_their_substance | ef:flow/14d51818-f175-48f0-9825-06e1dcb6df1a/v18 | ef:flow/14d51818-f175-48f0-9825-06e1dcb6df1a/v19 |