Isobutyl (S)-2-chloropropionate
Everything that changed this flow. Back to the flow
328f372c-d2fd-49c6-abf4-c153ad803812
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 | 2 | 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=isobutyl(s)-2-chloropropionate||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['ec_inventory', 'pubchem']; cas_sources={'83261-15-8': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-c3f6275fec6e5cb6: {'83261-15-8': '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 air > Emissions to urban air close to ground |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to urban air close to ground |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['83261-15-8']; matched_chebi_ids=[]; candidate_pubchem_cids=[123551, 157891]; selected_pubchem_cids=[157891]; 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 |
|---|---|---|---|---|---|
| 11,714 | bootstrap_labels | prefLabel | — | [{"@value":"isobutyl (S)-2-chloropropionate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:… | Bootstrapped prefLabel from legacy name field |
| 11,715 | bootstrap_labels | name | isobutyl (S)-2-chloropropionate | — | Purged legacy name field to enforce prefLabel usage |
| 11,716 | bootstrap_labels | synonyms | ["2-methylpropyl (2S)-2-chloropropanoate","AC1L4IV8","Propanoic acid, 2-chloro-, 2-methylpropyl ester, (2S)-"] | [] | Removed legacy synonyms field in favor of structured labels |
| 70,028 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Ground level","population_density":"Urban (>1000 people/square mil… | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to urban air close to ground |
| 70,029 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-grle-ur10pesq | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to urban air close to ground |
| 217,224 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 223,807 | normalize_name_case | prefLabel | [{"@value":"isobutyl (S)-2-chloropropionate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:… | [{"@value":"Isobutyl (S)-2-chloropropionate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 238,332 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H13ClO2"… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 238,333 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 238,334 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J138.304C","provenance":{"prov:wasGeneratedBy":"enrich_referen… | Added references with provenance; cas_numbers=['83261-15-8']; matched_chebi_ids=[]; candidate_pubchem_cids=[123551, 157891]; selected_pubchem_cids=[157891]; 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 |
| 251,522 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H13ClO2"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H13ClO2"… | rdkit_pre_consensus from 'CC(C)COC(=O)C(C)Cl'; added: inchi2d_string, molecular_mass, monoisotopic_mass |
| 268,059 | consensus_match | altLabel | [] | [{"@value":"(<em>S</em>)-2-Chloropropionic acid 2-methylpropyl ester","@language":"en","source":{"prov:wasGeneratedBy":… | group_key=isobutyl(s)-2-chloropropionate||dimension=Environmental > media=Water > water_body=Surface water; cas=83261-15-8; added Common Chemistry CAS names as altLabel: (<em>S</em>)-2-Chloropropionic acid 2-methylpropyl ester, (<em>S</em>)-Isobutyl 2-chloropropionate, (<em>S</em>)-Isobutyl-2-chloropropanoate, 2-Methylpropyl (2S)-2-chloropropanoate, Isobutyl <span class="text-smallcaps">L</span>-(-)-2-chloropropionate, Isobutyl <span class="text-smallcaps">L</span>-2-chloropropionate, Propanoic acid, 2-chloro-, 2-methylpropyl ester, (2<em>S</em>)-, Propanoic acid, 2-chloro-, 2-methylpropyl ester, (<em>S</em>)-; object_uuid=fo-c3f6275fec6e5cb6 |
| 268,060 | consensus_match | cas_match_labels | — | {"83261-15-8":"exactMatch"} | group_key=isobutyl(s)-2-chloropropionate||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['ec_inventory', 'pubchem']; cas_sources={'83261-15-8': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-c3f6275fec6e5cb6: {'83261-15-8': 'exactMatch'} |
| 276,706 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H13ClO2"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H13ClO2"… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Isobutyl (S)-2-chloropropionate' |
| 283,334 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H13ClO2"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H13ClO2"… | rdkit_post_consensus from 'CC(C)COC(=O)[C@H](C)Cl'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 292,587 | dedupe_altlabels | altLabel | [{"@value":"(<em>S</em>)-2-Chloropropionic acid 2-methylpropyl ester","@language":"en","source":{"prov:wasGeneratedBy":… | [{"@value":"(S)-2-Chloropropionic acid 2-methylpropyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensu… | Deduplicated altLabel values and removed entries matching prefLabel |
| 316,031 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/328f372c-d2fd-… | associations resolved on the elementary layer |
| 391,061 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H13ClO2"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H13ClO2"… | typed the way the ontology types it |
| 398,931 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
| 398,932 | link_flows_to_their_substance | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H13ClO2"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H13ClO2"… | 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/20260822T0600486828500000/11714 | prefLabel | ef:agent/bootstrap_labels | ef:flow/328f372c-d2fd-49c6-abf4-c153ad803812/v0 | ef:flow/328f372c-d2fd-49c6-abf4-c153ad803812/v1 |
| ef:activity/change/20260822T0600486828500000/11715 | name | ef:agent/bootstrap_labels | ef:flow/328f372c-d2fd-49c6-abf4-c153ad803812/v1 | ef:flow/328f372c-d2fd-49c6-abf4-c153ad803812/v2 |
| ef:activity/change/20260822T0600486828500000/11716 | synonyms | ef:agent/bootstrap_labels | ef:flow/328f372c-d2fd-49c6-abf4-c153ad803812/v2 | ef:flow/328f372c-d2fd-49c6-abf4-c153ad803812/v3 |
| ef:activity/change/20260822T0600486828500000/70028 | context | ef:agent/default_context_mapping | ef:flow/328f372c-d2fd-49c6-abf4-c153ad803812/v3 | ef:flow/328f372c-d2fd-49c6-abf4-c153ad803812/v4 |
| ef:activity/change/20260822T0600486828500000/70029 | context_iri | ef:agent/default_context_mapping | ef:flow/328f372c-d2fd-49c6-abf4-c153ad803812/v4 | ef:flow/328f372c-d2fd-49c6-abf4-c153ad803812/v5 |
| ef:activity/change/20260822T0600486828500000/217224 | unit_iri | ef:agent/unit_normalization | ef:flow/328f372c-d2fd-49c6-abf4-c153ad803812/v5 | ef:flow/328f372c-d2fd-49c6-abf4-c153ad803812/v6 |
| ef:activity/change/20260822T0600486828500000/223807 | prefLabel | ef:agent/normalize_name_case | ef:flow/328f372c-d2fd-49c6-abf4-c153ad803812/v6 | ef:flow/328f372c-d2fd-49c6-abf4-c153ad803812/v7 |
| ef:activity/change/20260822T0600486828500000/238332 | properties | ef:agent/enrich_references | ef:flow/328f372c-d2fd-49c6-abf4-c153ad803812/v7 | ef:flow/328f372c-d2fd-49c6-abf4-c153ad803812/v8 |
| ef:activity/change/20260822T0600486828500000/238333 | skos_definition | ef:agent/enrich_references | ef:flow/328f372c-d2fd-49c6-abf4-c153ad803812/v8 | ef:flow/328f372c-d2fd-49c6-abf4-c153ad803812/v9 |
| ef:activity/change/20260822T0600486828500000/238334 | references | ef:agent/enrich_references | ef:flow/328f372c-d2fd-49c6-abf4-c153ad803812/v9 | ef:flow/328f372c-d2fd-49c6-abf4-c153ad803812/v10 |
| ef:activity/change/20260822T0600486828500000/251522 | properties | ef:agent/rdkit_pre_consensus | ef:flow/328f372c-d2fd-49c6-abf4-c153ad803812/v10 | ef:flow/328f372c-d2fd-49c6-abf4-c153ad803812/v11 |
| ef:activity/change/20260822T0600486828500000/268059 | altLabel | ef:agent/consensus_match | ef:flow/328f372c-d2fd-49c6-abf4-c153ad803812/v11 | ef:flow/328f372c-d2fd-49c6-abf4-c153ad803812/v12 |
| ef:activity/change/20260822T0600486828500000/268060 | cas_match_labels | ef:agent/consensus_match | ef:flow/328f372c-d2fd-49c6-abf4-c153ad803812/v12 | ef:flow/328f372c-d2fd-49c6-abf4-c153ad803812/v13 |
| ef:activity/change/20260822T0600486828500000/276706 | properties | ef:agent/opsin_iupac | ef:flow/328f372c-d2fd-49c6-abf4-c153ad803812/v13 | ef:flow/328f372c-d2fd-49c6-abf4-c153ad803812/v14 |
| ef:activity/change/20260822T0600486828500000/283334 | properties | ef:agent/rdkit_post_consensus | ef:flow/328f372c-d2fd-49c6-abf4-c153ad803812/v14 | ef:flow/328f372c-d2fd-49c6-abf4-c153ad803812/v15 |
| ef:activity/change/20260822T0600486828500000/292587 | altLabel | ef:agent/dedupe_altlabels | ef:flow/328f372c-d2fd-49c6-abf4-c153ad803812/v15 | ef:flow/328f372c-d2fd-49c6-abf4-c153ad803812/v16 |
| ef:activity/change/20260822T0600486828500000/316031 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/328f372c-d2fd-49c6-abf4-c153ad803812/v16 | ef:flow/328f372c-d2fd-49c6-abf4-c153ad803812/v17 |
| ef:activity/change/20260822T0600486828500000/391061 | properties | ef:agent/normalise_property_values | ef:flow/328f372c-d2fd-49c6-abf4-c153ad803812/v17 | ef:flow/328f372c-d2fd-49c6-abf4-c153ad803812/v18 |
| ef:activity/change/20260822T0600486828500000/398931 | types | ef:agent/link_flows_to_their_substance | ef:flow/328f372c-d2fd-49c6-abf4-c153ad803812/v18 | ef:flow/328f372c-d2fd-49c6-abf4-c153ad803812/v19 |
| ef:activity/change/20260822T0600486828500000/398932 | properties | ef:agent/link_flows_to_their_substance | ef:flow/328f372c-d2fd-49c6-abf4-c153ad803812/v19 | ef:flow/328f372c-d2fd-49c6-abf4-c153ad803812/v20 |