2-chloropropanoic Acid
Everything that changed this flow. Back to the flow
2b8040da-d4c8-45a7-994e-fe3a4275ff01
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 2 catalogue altLabel value(s): 'NSC 173' (registry code), 'NSC 401806' (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=2-chloropropanoicacid||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'598-78-7': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-9d3873afcca7af13: {'598-78-7': '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=['598-78-7']; matched_chebi_ids=[]; candidate_pubchem_cids=[11734, 107915]; selected_pubchem_cids=[11734]; 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 |
|---|---|---|---|---|---|
| 4,934 | bootstrap_labels | prefLabel | — | [{"@value":"2-chloropropanoic acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttrib… | Bootstrapped prefLabel from legacy name field |
| 4,935 | bootstrap_labels | name | 2-chloropropanoic acid | — | Purged legacy name field to enforce prefLabel usage |
| 4,936 | bootstrap_labels | synonyms | ["organic","2-chloropropionicacid","acpa"] | [] | Removed legacy synonyms field in favor of structured labels |
| 65,826 | 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 |
| 65,827 | 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 |
| 214,987 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 222,235 | normalize_name_case | prefLabel | [{"@value":"2-chloropropanoic acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttrib… | [{"@value":"2-chloropropanoic Acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttrib… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 231,921 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H5ClO2"]… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 231,922 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 231,923 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J481B","provenance":{"prov:wasGeneratedBy":"enrich_references.… | Added references with provenance; cas_numbers=['598-78-7']; matched_chebi_ids=[]; candidate_pubchem_cids=[11734, 107915]; selected_pubchem_cids=[11734]; 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 |
| 249,678 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H5ClO2"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H5ClO2"]… | rdkit_pre_consensus from 'CC(C(=O)O)Cl'; added: molecular_mass, monoisotopic_mass |
| 260,728 | consensus_match | altLabel | [] | [{"@value":"(<em>RS</em>)-2-Chloropropanoic acid","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","p… | group_key=2-chloropropanoicacid||dimension=Environmental > media=Water > water_body=Unknown; cas=598-78-7; added Common Chemistry CAS names as altLabel: (<em>RS</em>)-2-Chloropropanoic acid, (<em>RS</em>)-2-Chloropropionic acid, (<em>RS</em>)-α-Chloropropionic acid, (±)-2-Chloropropanoic acid, (±)-2-Chloropropionic acid, (±)-α-Chloropropanoic acid, 2-Chloropropionic acid, <span class="text-smallcaps">DL</span>-2-Chloropropionic acid, NSC 173, NSC 401806, Propanoic acid, 2-chloro-, Propionic acid, 2-chloro-, Propionic acid, α-chloro-, α-Chloropropionic acid; object_uuid=fo-9d3873afcca7af13 |
| 260,729 | consensus_match | cas_match_labels | — | {"598-78-7":"exactMatch"} | group_key=2-chloropropanoicacid||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'598-78-7': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-9d3873afcca7af13: {'598-78-7': 'exactMatch'} |
| 274,811 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H5ClO2"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H5ClO2"]… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '2-chloropropanoic Acid' |
| 281,282 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H5ClO2"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H5ClO2"]… | rdkit_post_consensus from 'CC(Cl)C(=O)O'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 288,272 | strip_catalogue_altlabels | altLabel | [{"@value":"(<em>RS</em>)-2-Chloropropanoic acid","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","p… | [{"@value":"(RS)-2-Chloropropanoic acid","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAt… | Removed 2 catalogue altLabel value(s): 'NSC 173' (registry code), 'NSC 401806' (registry code) |
| 313,928 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/2b8040da-d4c8-… | associations resolved on the elementary layer |
| 389,117 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H5ClO2"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H5ClO2"]… | typed the way the ontology types it |
| 396,139 | 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/20260821T1122181958110000/4934 | prefLabel | ef:agent/bootstrap_labels | ef:flow/2b8040da-d4c8-45a7-994e-fe3a4275ff01/v0 | ef:flow/2b8040da-d4c8-45a7-994e-fe3a4275ff01/v1 |
| ef:activity/change/20260821T1122181958110000/4935 | name | ef:agent/bootstrap_labels | ef:flow/2b8040da-d4c8-45a7-994e-fe3a4275ff01/v1 | ef:flow/2b8040da-d4c8-45a7-994e-fe3a4275ff01/v2 |
| ef:activity/change/20260821T1122181958110000/4936 | synonyms | ef:agent/bootstrap_labels | ef:flow/2b8040da-d4c8-45a7-994e-fe3a4275ff01/v2 | ef:flow/2b8040da-d4c8-45a7-994e-fe3a4275ff01/v3 |
| ef:activity/change/20260821T1122181958110000/65826 | context | ef:agent/default_context_mapping | ef:flow/2b8040da-d4c8-45a7-994e-fe3a4275ff01/v3 | ef:flow/2b8040da-d4c8-45a7-994e-fe3a4275ff01/v4 |
| ef:activity/change/20260821T1122181958110000/65827 | context_iri | ef:agent/default_context_mapping | ef:flow/2b8040da-d4c8-45a7-994e-fe3a4275ff01/v4 | ef:flow/2b8040da-d4c8-45a7-994e-fe3a4275ff01/v5 |
| ef:activity/change/20260821T1122181958110000/214987 | unit_iri | ef:agent/unit_normalization | ef:flow/2b8040da-d4c8-45a7-994e-fe3a4275ff01/v5 | ef:flow/2b8040da-d4c8-45a7-994e-fe3a4275ff01/v6 |
| ef:activity/change/20260821T1122181958110000/222235 | prefLabel | ef:agent/normalize_name_case | ef:flow/2b8040da-d4c8-45a7-994e-fe3a4275ff01/v6 | ef:flow/2b8040da-d4c8-45a7-994e-fe3a4275ff01/v7 |
| ef:activity/change/20260821T1122181958110000/231921 | properties | ef:agent/enrich_references | ef:flow/2b8040da-d4c8-45a7-994e-fe3a4275ff01/v7 | ef:flow/2b8040da-d4c8-45a7-994e-fe3a4275ff01/v8 |
| ef:activity/change/20260821T1122181958110000/231922 | skos_definition | ef:agent/enrich_references | ef:flow/2b8040da-d4c8-45a7-994e-fe3a4275ff01/v8 | ef:flow/2b8040da-d4c8-45a7-994e-fe3a4275ff01/v9 |
| ef:activity/change/20260821T1122181958110000/231923 | references | ef:agent/enrich_references | ef:flow/2b8040da-d4c8-45a7-994e-fe3a4275ff01/v9 | ef:flow/2b8040da-d4c8-45a7-994e-fe3a4275ff01/v10 |
| ef:activity/change/20260821T1122181958110000/249678 | properties | ef:agent/rdkit_pre_consensus | ef:flow/2b8040da-d4c8-45a7-994e-fe3a4275ff01/v10 | ef:flow/2b8040da-d4c8-45a7-994e-fe3a4275ff01/v11 |
| ef:activity/change/20260821T1122181958110000/260728 | altLabel | ef:agent/consensus_match | ef:flow/2b8040da-d4c8-45a7-994e-fe3a4275ff01/v11 | ef:flow/2b8040da-d4c8-45a7-994e-fe3a4275ff01/v12 |
| ef:activity/change/20260821T1122181958110000/260729 | cas_match_labels | ef:agent/consensus_match | ef:flow/2b8040da-d4c8-45a7-994e-fe3a4275ff01/v12 | ef:flow/2b8040da-d4c8-45a7-994e-fe3a4275ff01/v13 |
| ef:activity/change/20260821T1122181958110000/274811 | properties | ef:agent/opsin_iupac | ef:flow/2b8040da-d4c8-45a7-994e-fe3a4275ff01/v13 | ef:flow/2b8040da-d4c8-45a7-994e-fe3a4275ff01/v14 |
| ef:activity/change/20260821T1122181958110000/281282 | properties | ef:agent/rdkit_post_consensus | ef:flow/2b8040da-d4c8-45a7-994e-fe3a4275ff01/v14 | ef:flow/2b8040da-d4c8-45a7-994e-fe3a4275ff01/v15 |
| ef:activity/change/20260821T1122181958110000/288272 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/2b8040da-d4c8-45a7-994e-fe3a4275ff01/v15 | ef:flow/2b8040da-d4c8-45a7-994e-fe3a4275ff01/v16 |
| ef:activity/change/20260821T1122181958110000/313928 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/2b8040da-d4c8-45a7-994e-fe3a4275ff01/v16 | ef:flow/2b8040da-d4c8-45a7-994e-fe3a4275ff01/v17 |
| ef:activity/change/20260821T1122181958110000/389117 | properties | ef:agent/normalise_property_values | ef:flow/2b8040da-d4c8-45a7-994e-fe3a4275ff01/v17 | ef:flow/2b8040da-d4c8-45a7-994e-fe3a4275ff01/v18 |
| ef:activity/change/20260821T1122181958110000/396139 | types | ef:agent/link_flows_to_their_substance | ef:flow/2b8040da-d4c8-45a7-994e-fe3a4275ff01/v18 | ef:flow/2b8040da-d4c8-45a7-994e-fe3a4275ff01/v19 |