Chloroacetic Acid
Everything that changed this flow. Back to the flow
2f58ae50-31e1-415c-93d5-08753e9f3652
By field
14 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 2 catalogue altLabel value(s): 'NSC 142' (registry code), 'NSC 42970' (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=chloroaceticacid||dimension=Environmental > media=Water > water_body=Long-term; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'79-11-8': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-6645db090f179355: {'79-11-8': '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=['79-11-8']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_27869']; candidate_pubchem_cids=[300, 518964]; selected_pubchem_cids=[300]; 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 |
| roles | 1 | link_flows_to_their_substance | the substance's answer, copied onto its flow |
| 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
21| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 14,989 | bootstrap_labels | prefLabel | — | [{"@value":"chloroacetic acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedT… | Bootstrapped prefLabel from legacy name field |
| 14,990 | bootstrap_labels | name | chloroacetic acid | — | Purged legacy name field to enforce prefLabel usage |
| 14,991 | bootstrap_labels | synonyms | [".alpha.-Chloroacetic acid","2-chloroacetic acid","AB1002140","AC1L18XJ","AC1Q75JS","AC1Q75JT","AKOS000118920","Acetic… | [] | Removed legacy synonyms field in favor of structured labels |
| 68,130 | 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 |
| 68,131 | 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 |
| 218,283 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 224,554 | normalize_name_case | prefLabel | [{"@value":"chloroacetic acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedT… | [{"@value":"Chloroacetic Acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedT… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 241,350 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2H3ClO2"]… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 241,351 | enrich_references | skos_definition | — | [{"@value":"A chlorocarboxylic acid that is acetic acid carrying a 2-chloro substituent.","@language":"en","provenance"… | Merged ChEBI/PubChem definitions into skos:definition |
| 241,352 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.409K","provenance":{"prov:wasGeneratedBy":"enrich_reference… | Added references with provenance; cas_numbers=['79-11-8']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_27869']; candidate_pubchem_cids=[300, 518964]; selected_pubchem_cids=[300]; 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 |
| 252,407 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2H3ClO2"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2H3ClO2"]… | rdkit_pre_consensus from 'C(C(=O)O)Cl'; added: monoisotopic_mass |
| 256,387 | chebi_altlabels | altLabel | [] | [{"@value":"2-chloro-acetic acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribute… | Added 13 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 265,082 | consensus_match | altLabel | [{"@value":"2-chloro-acetic acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribute… | [{"@value":"2-chloro-acetic acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribute… | group_key=chloroaceticacid||dimension=Environmental > media=Water > water_body=Long-term; cas=79-11-8; added Common Chemistry CAS names as altLabel: Acetic acid, 2-chloro-, Acetic acid, chloro-, MCA, MCAA, MKhUK, NSC 142, NSC 42970, α-Chloroacetic acid; object_uuid=fo-6645db090f179355 |
| 265,083 | consensus_match | cas_match_labels | — | {"79-11-8":"exactMatch"} | group_key=chloroaceticacid||dimension=Environmental > media=Water > water_body=Long-term; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'79-11-8': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-6645db090f179355: {'79-11-8': 'exactMatch'} |
| 277,615 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2H3ClO2"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2H3ClO2"]… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Chloroacetic Acid' |
| 284,313 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2H3ClO2"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2H3ClO2"]… | rdkit_post_consensus from 'O=C(O)CCl'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 290,341 | strip_catalogue_altlabels | altLabel | [{"@value":"2-chloro-acetic acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribute… | [{"@value":"2-chloro-acetic acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribute… | Removed 2 catalogue altLabel value(s): 'NSC 142' (registry code), 'NSC 42970' (registry code) |
| 315,104 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/2f58ae50-31e1-… | associations resolved on the elementary layer |
| 391,973 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2H3ClO2"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2H3ClO2"]… | typed the way the ontology types it |
| 400,233 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
| 400,234 | link_flows_to_their_substance | roles | — | [{"@id":"http://purl.obolibrary.org/obo/CHEBI_24527","rdfs:label":"herbicide","http://www.w3.org/2004/02/skos/core#defi… | the substance's answer, copied onto its flow |
PROV-O trail
21 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/20260820T1555490862250000/14989 | prefLabel | ef:agent/bootstrap_labels | ef:flow/2f58ae50-31e1-415c-93d5-08753e9f3652/v0 | ef:flow/2f58ae50-31e1-415c-93d5-08753e9f3652/v1 |
| ef:activity/change/20260820T1555490862250000/14990 | name | ef:agent/bootstrap_labels | ef:flow/2f58ae50-31e1-415c-93d5-08753e9f3652/v1 | ef:flow/2f58ae50-31e1-415c-93d5-08753e9f3652/v2 |
| ef:activity/change/20260820T1555490862250000/14991 | synonyms | ef:agent/bootstrap_labels | ef:flow/2f58ae50-31e1-415c-93d5-08753e9f3652/v2 | ef:flow/2f58ae50-31e1-415c-93d5-08753e9f3652/v3 |
| ef:activity/change/20260820T1555490862250000/68130 | context | ef:agent/default_context_mapping | ef:flow/2f58ae50-31e1-415c-93d5-08753e9f3652/v3 | ef:flow/2f58ae50-31e1-415c-93d5-08753e9f3652/v4 |
| ef:activity/change/20260820T1555490862250000/68131 | context_iri | ef:agent/default_context_mapping | ef:flow/2f58ae50-31e1-415c-93d5-08753e9f3652/v4 | ef:flow/2f58ae50-31e1-415c-93d5-08753e9f3652/v5 |
| ef:activity/change/20260820T1555490862250000/218283 | unit_iri | ef:agent/unit_normalization | ef:flow/2f58ae50-31e1-415c-93d5-08753e9f3652/v5 | ef:flow/2f58ae50-31e1-415c-93d5-08753e9f3652/v6 |
| ef:activity/change/20260820T1555490862250000/224554 | prefLabel | ef:agent/normalize_name_case | ef:flow/2f58ae50-31e1-415c-93d5-08753e9f3652/v6 | ef:flow/2f58ae50-31e1-415c-93d5-08753e9f3652/v7 |
| ef:activity/change/20260820T1555490862250000/241350 | properties | ef:agent/enrich_references | ef:flow/2f58ae50-31e1-415c-93d5-08753e9f3652/v7 | ef:flow/2f58ae50-31e1-415c-93d5-08753e9f3652/v8 |
| ef:activity/change/20260820T1555490862250000/241351 | skos_definition | ef:agent/enrich_references | ef:flow/2f58ae50-31e1-415c-93d5-08753e9f3652/v8 | ef:flow/2f58ae50-31e1-415c-93d5-08753e9f3652/v9 |
| ef:activity/change/20260820T1555490862250000/241352 | references | ef:agent/enrich_references | ef:flow/2f58ae50-31e1-415c-93d5-08753e9f3652/v9 | ef:flow/2f58ae50-31e1-415c-93d5-08753e9f3652/v10 |
| ef:activity/change/20260820T1555490862250000/252407 | properties | ef:agent/rdkit_pre_consensus | ef:flow/2f58ae50-31e1-415c-93d5-08753e9f3652/v10 | ef:flow/2f58ae50-31e1-415c-93d5-08753e9f3652/v11 |
| ef:activity/change/20260820T1555490862250000/256387 | altLabel | ef:agent/chebi_altlabels | ef:flow/2f58ae50-31e1-415c-93d5-08753e9f3652/v11 | ef:flow/2f58ae50-31e1-415c-93d5-08753e9f3652/v12 |
| ef:activity/change/20260820T1555490862250000/265082 | altLabel | ef:agent/consensus_match | ef:flow/2f58ae50-31e1-415c-93d5-08753e9f3652/v12 | ef:flow/2f58ae50-31e1-415c-93d5-08753e9f3652/v13 |
| ef:activity/change/20260820T1555490862250000/265083 | cas_match_labels | ef:agent/consensus_match | ef:flow/2f58ae50-31e1-415c-93d5-08753e9f3652/v13 | ef:flow/2f58ae50-31e1-415c-93d5-08753e9f3652/v14 |
| ef:activity/change/20260820T1555490862250000/277615 | properties | ef:agent/opsin_iupac | ef:flow/2f58ae50-31e1-415c-93d5-08753e9f3652/v14 | ef:flow/2f58ae50-31e1-415c-93d5-08753e9f3652/v15 |
| ef:activity/change/20260820T1555490862250000/284313 | properties | ef:agent/rdkit_post_consensus | ef:flow/2f58ae50-31e1-415c-93d5-08753e9f3652/v15 | ef:flow/2f58ae50-31e1-415c-93d5-08753e9f3652/v16 |
| ef:activity/change/20260820T1555490862250000/290341 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/2f58ae50-31e1-415c-93d5-08753e9f3652/v16 | ef:flow/2f58ae50-31e1-415c-93d5-08753e9f3652/v17 |
| ef:activity/change/20260820T1555490862250000/315104 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/2f58ae50-31e1-415c-93d5-08753e9f3652/v17 | ef:flow/2f58ae50-31e1-415c-93d5-08753e9f3652/v18 |
| ef:activity/change/20260820T1555490862250000/391973 | properties | ef:agent/normalise_property_values | ef:flow/2f58ae50-31e1-415c-93d5-08753e9f3652/v18 | ef:flow/2f58ae50-31e1-415c-93d5-08753e9f3652/v19 |
| ef:activity/change/20260820T1555490862250000/400233 | types | ef:agent/link_flows_to_their_substance | ef:flow/2f58ae50-31e1-415c-93d5-08753e9f3652/v19 | ef:flow/2f58ae50-31e1-415c-93d5-08753e9f3652/v20 |
| ef:activity/change/20260820T1555490862250000/400234 | roles | ef:agent/link_flows_to_their_substance | ef:flow/2f58ae50-31e1-415c-93d5-08753e9f3652/v20 | ef:flow/2f58ae50-31e1-415c-93d5-08753e9f3652/v21 |