(s)-2-chloropropionic Acid
Everything that changed this flow. Back to the flow
aa371b7f-0482-4af6-811d-bcd79b017c7c
By field
13 fields| Field | Changes | Written by | Latest note |
|---|---|---|---|
| properties | 6 | enrich_references, link_flows_to_their_substance, normalise_property_values, opsin_iupac, rdkit_post_consensus, rdkit_pre_consensus | the substance's answer, copied onto its flow |
| altLabel | 3 | chebi_altlabels, consensus_match, dedupe_altlabels | Deduplicated altLabel values and removed entries matching prefLabel |
| 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=(s)-2-chloropropionicacid||dimension=Environmental > media=Air > strata=Medium stack, <150 meters > population_density=Rural (<1000 people/square mile); group_sources=['chebi', 'pubchem']; cas_sources={'29617-66-1': ['chebi', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-31e1fced120f26bc: {'29617-66-1': '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 soil > Emissions to soil, unspecified |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to soil, unspecified |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['29617-66-1']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_73956']; candidate_pubchem_cids=[7899, 11734, 68987, 107915, 2783248, 6999783]; selected_pubchem_cids=[107915]; 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
21| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 16,057 | bootstrap_labels | prefLabel | — | [{"@value":"(s)-2-chloropropionic acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAt… | Bootstrapped prefLabel from legacy name field |
| 16,058 | bootstrap_labels | name | (s)-2-chloropropionic acid | — | Purged legacy name field to enforce prefLabel usage |
| 16,059 | bootstrap_labels | synonyms | ["organic","(s)-2-chloropropionicacid","lcpa"] | [] | Removed legacy synonyms field in favor of structured labels |
| 151,040 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Ground","geography":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to soil, unspecified |
| 151,041 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-grou-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to soil, unspecified |
| 218,619 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 224,789 | normalize_name_case | prefLabel | [{"@value":"(s)-2-chloropropionic acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAt… | [{"@value":"(s)-2-chloropropionic Acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAt… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 242,303 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H5ClO2"]… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 242,304 | enrich_references | skos_definition | — | [{"@value":"A monocarboxylic acid that is propanoic acid substituted at position 2 by a chloro group (the S-enantiomer)… | Merged ChEBI/PubChem definitions into skos:definition |
| 242,305 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J669F","provenance":{"prov:wasGeneratedBy":"enrich_references.… | Added references with provenance; cas_numbers=['29617-66-1']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_73956']; candidate_pubchem_cids=[7899, 11734, 68987, 107915, 2783248, 6999783]; selected_pubchem_cids=[107915]; 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 |
| 252,684 | 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: inchi2d_string, monoisotopic_mass |
| 256,520 | chebi_altlabels | altLabel | [] | [{"@value":"(2S)-2-chloropropanoic acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAt… | Added 6 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 257,914 | consensus_match | altLabel | [{"@value":"(2S)-2-chloropropanoic acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAt… | [{"@value":"(2S)-2-chloropropanoic acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAt… | group_key=(s)-2-chloropropionicacid||dimension=Environmental > media=Air > strata=Medium stack, <150 meters > population_density=Rural (<1000 people/square mile); cas=29617-66-1; added Common Chemistry CAS names as altLabel: (-)-2-Chloropropanoic acid, (-)-2-Chloropropionic acid, (-)-α-Chloropropanoic acid, (2<em>S</em>)-2-Chloropropionic acid, (2<em>S</em>)-Chloropropanoic acid, (<em>S</em>)-2-Chloropropanoic acid, (<em>S</em>)-α-Chloropropionic acid, 2(<em>S</em>)-Chloropropionic acid, 2-Chloro-<span class="text-smallcaps">L</span>-propionic acid, <em>S</em>-(-)-2-Chloropropionic acid, Propanoic acid, 2-chloro-, (2<em>S</em>)-, Propanoic acid, 2-chloro-, (<em>S</em>)-, Propionic acid, 2-chloro-, <span class="text-smallcaps">L</span>-, α-<span class="text-smallcaps">L</span>-Chloropropionic acid; object_uuid=fo-31e1fced120f26bc |
| 257,915 | consensus_match | cas_match_labels | — | {"29617-66-1":"exactMatch"} | group_key=(s)-2-chloropropionicacid||dimension=Environmental > media=Air > strata=Medium stack, <150 meters > population_density=Rural (<1000 people/square mile); group_sources=['chebi', 'pubchem']; cas_sources={'29617-66-1': ['chebi', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-31e1fced120f26bc: {'29617-66-1': 'exactMatch'} |
| 277,904 | 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 '(s)-2-chloropropionic Acid' |
| 284,614 | 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 'C[C@H](Cl)C(=O)O'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 292,883 | dedupe_altlabels | altLabel | [{"@value":"(2S)-2-chloropropanoic acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAt… | [{"@value":"(2S)-2-chloropropanoic acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAt… | Deduplicated altLabel values and removed entries matching prefLabel |
| 356,562 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/aa371b7f-0482-… | associations resolved on the elementary layer |
| 392,262 | 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 |
| 400,624 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
| 400,625 | link_flows_to_their_substance | 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"]… | 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/20260820T0738569779880000/16057 | prefLabel | ef:agent/bootstrap_labels | ef:flow/aa371b7f-0482-4af6-811d-bcd79b017c7c/v0 | ef:flow/aa371b7f-0482-4af6-811d-bcd79b017c7c/v1 |
| ef:activity/change/20260820T0738569779880000/16058 | name | ef:agent/bootstrap_labels | ef:flow/aa371b7f-0482-4af6-811d-bcd79b017c7c/v1 | ef:flow/aa371b7f-0482-4af6-811d-bcd79b017c7c/v2 |
| ef:activity/change/20260820T0738569779880000/16059 | synonyms | ef:agent/bootstrap_labels | ef:flow/aa371b7f-0482-4af6-811d-bcd79b017c7c/v2 | ef:flow/aa371b7f-0482-4af6-811d-bcd79b017c7c/v3 |
| ef:activity/change/20260820T0738569779880000/151040 | context | ef:agent/default_context_mapping | ef:flow/aa371b7f-0482-4af6-811d-bcd79b017c7c/v3 | ef:flow/aa371b7f-0482-4af6-811d-bcd79b017c7c/v4 |
| ef:activity/change/20260820T0738569779880000/151041 | context_iri | ef:agent/default_context_mapping | ef:flow/aa371b7f-0482-4af6-811d-bcd79b017c7c/v4 | ef:flow/aa371b7f-0482-4af6-811d-bcd79b017c7c/v5 |
| ef:activity/change/20260820T0738569779880000/218619 | unit_iri | ef:agent/unit_normalization | ef:flow/aa371b7f-0482-4af6-811d-bcd79b017c7c/v5 | ef:flow/aa371b7f-0482-4af6-811d-bcd79b017c7c/v6 |
| ef:activity/change/20260820T0738569779880000/224789 | prefLabel | ef:agent/normalize_name_case | ef:flow/aa371b7f-0482-4af6-811d-bcd79b017c7c/v6 | ef:flow/aa371b7f-0482-4af6-811d-bcd79b017c7c/v7 |
| ef:activity/change/20260820T0738569779880000/242303 | properties | ef:agent/enrich_references | ef:flow/aa371b7f-0482-4af6-811d-bcd79b017c7c/v7 | ef:flow/aa371b7f-0482-4af6-811d-bcd79b017c7c/v8 |
| ef:activity/change/20260820T0738569779880000/242304 | skos_definition | ef:agent/enrich_references | ef:flow/aa371b7f-0482-4af6-811d-bcd79b017c7c/v8 | ef:flow/aa371b7f-0482-4af6-811d-bcd79b017c7c/v9 |
| ef:activity/change/20260820T0738569779880000/242305 | references | ef:agent/enrich_references | ef:flow/aa371b7f-0482-4af6-811d-bcd79b017c7c/v9 | ef:flow/aa371b7f-0482-4af6-811d-bcd79b017c7c/v10 |
| ef:activity/change/20260820T0738569779880000/252684 | properties | ef:agent/rdkit_pre_consensus | ef:flow/aa371b7f-0482-4af6-811d-bcd79b017c7c/v10 | ef:flow/aa371b7f-0482-4af6-811d-bcd79b017c7c/v11 |
| ef:activity/change/20260820T0738569779880000/256520 | altLabel | ef:agent/chebi_altlabels | ef:flow/aa371b7f-0482-4af6-811d-bcd79b017c7c/v11 | ef:flow/aa371b7f-0482-4af6-811d-bcd79b017c7c/v12 |
| ef:activity/change/20260820T0738569779880000/257914 | altLabel | ef:agent/consensus_match | ef:flow/aa371b7f-0482-4af6-811d-bcd79b017c7c/v12 | ef:flow/aa371b7f-0482-4af6-811d-bcd79b017c7c/v13 |
| ef:activity/change/20260820T0738569779880000/257915 | cas_match_labels | ef:agent/consensus_match | ef:flow/aa371b7f-0482-4af6-811d-bcd79b017c7c/v13 | ef:flow/aa371b7f-0482-4af6-811d-bcd79b017c7c/v14 |
| ef:activity/change/20260820T0738569779880000/277904 | properties | ef:agent/opsin_iupac | ef:flow/aa371b7f-0482-4af6-811d-bcd79b017c7c/v14 | ef:flow/aa371b7f-0482-4af6-811d-bcd79b017c7c/v15 |
| ef:activity/change/20260820T0738569779880000/284614 | properties | ef:agent/rdkit_post_consensus | ef:flow/aa371b7f-0482-4af6-811d-bcd79b017c7c/v15 | ef:flow/aa371b7f-0482-4af6-811d-bcd79b017c7c/v16 |
| ef:activity/change/20260820T0738569779880000/292883 | altLabel | ef:agent/dedupe_altlabels | ef:flow/aa371b7f-0482-4af6-811d-bcd79b017c7c/v16 | ef:flow/aa371b7f-0482-4af6-811d-bcd79b017c7c/v17 |
| ef:activity/change/20260820T0738569779880000/356562 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/aa371b7f-0482-4af6-811d-bcd79b017c7c/v17 | ef:flow/aa371b7f-0482-4af6-811d-bcd79b017c7c/v18 |
| ef:activity/change/20260820T0738569779880000/392262 | properties | ef:agent/normalise_property_values | ef:flow/aa371b7f-0482-4af6-811d-bcd79b017c7c/v18 | ef:flow/aa371b7f-0482-4af6-811d-bcd79b017c7c/v19 |
| ef:activity/change/20260820T0738569779880000/400624 | types | ef:agent/link_flows_to_their_substance | ef:flow/aa371b7f-0482-4af6-811d-bcd79b017c7c/v19 | ef:flow/aa371b7f-0482-4af6-811d-bcd79b017c7c/v20 |
| ef:activity/change/20260820T0738569779880000/400625 | properties | ef:agent/link_flows_to_their_substance | ef:flow/aa371b7f-0482-4af6-811d-bcd79b017c7c/v20 | ef:flow/aa371b7f-0482-4af6-811d-bcd79b017c7c/v21 |