3-chloropropane-1,2-diol
Everything that changed this flow. Back to the flow
69fbf9d4-3315-45a1-b5c0-1138421fbc81
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 | 3 | chebi_altlabels, consensus_match, strip_catalogue_altlabels | Removed 1 catalogue altLabel value(s): 'U 5897' (grade code) |
| cas_match_labels | 1 | consensus_match | group_key=3-chloropropane-1,2-diol||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'96-24-2': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-13ec556c2589e1bc: {'96-24-2': '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 |
| prefLabel | 1 | bootstrap_labels | Bootstrapped prefLabel from legacy name field |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['96-24-2']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_18721']; candidate_pubchem_cids=[3503, 7290, 148904]; selected_pubchem_cids=[7290]; 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 |
|---|---|---|---|---|---|
| 332 | bootstrap_labels | prefLabel | — | [{"@value":"3-chloropropane-1,2-diol","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttr… | Bootstrapped prefLabel from legacy name field |
| 333 | bootstrap_labels | name | 3-chloropropane-1,2-diol | — | Purged legacy name field to enforce prefLabel usage |
| 334 | bootstrap_labels | synonyms | ["(+-)-2,3-Dihydroxychloropropane","(+/-)-3-Chloro-1,2-propanediol","(RS)-3-chloro-1,2-propanediol",".alpha.-Chlorohydr… | [] | Removed legacy synonyms field in favor of structured labels |
| 112,900 | 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 |
| 112,901 | 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 |
| 213,449 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 227,487 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H7ClO2"]… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 227,488 | enrich_references | skos_definition | — | [{"@value":"A chloropropane-1,2-diol that is propane-1,2-diol substituted by a chloro group at position 3.","@language"… | Merged ChEBI/PubChem definitions into skos:definition |
| 227,489 | enrich_references | references | [] | [{"@id":"beilstein:635684","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedTo":"… | Added references with provenance; cas_numbers=['96-24-2']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_18721']; candidate_pubchem_cids=[3503, 7290, 148904]; selected_pubchem_cids=[7290]; 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 |
| 248,405 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H7ClO2"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H7ClO2"]… | rdkit_pre_consensus from 'C(C(CCl)O)O'; added: monoisotopic_mass |
| 254,425 | chebi_altlabels | altLabel | [] | [{"@value":"(RS)-3-chloro-1,2-propanediol","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:was… | Added 6 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 261,992 | consensus_match | altLabel | [{"@value":"(RS)-3-chloro-1,2-propanediol","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:was… | [{"@value":"(RS)-3-chloro-1,2-propanediol","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:was… | group_key=3-chloropropane-1,2-diol||dimension=Environmental > media=Water > water_body=Unknown; cas=96-24-2; added Common Chemistry CAS names as altLabel: (<em>RS</em>)-α-Chlorohydrin, (±)-2,3-Dihydroxychloropropane, (±)-3-Chloro-1,2-propanediol, 1,2-Dihydroxy-3-chloropropane, 1,2-Propanediol, 3-chloro-, 1-Chloro-1-deoxyglycerol, 1-Chloro-2,3-dihydroxypropane, 3-Chloro-1,2-dihydroxypropane, 3-Chloro-1,2-propylene glycol, 3-Chloropropanediol, 3-Chloropropylene glycol, <em>dl</em>-α-Chlorohydrin, Chlorohydrin, Chloropropanediol, Ekorod A, Epibloc, Glycerin epichlorohydrin, Glycerin monochlorohydrin, Glycerin α-monochlorhydrin, Glycerol 3-chlorohydrin, Glycerol monochlorohydrin, Glycerol α-chlorohydrin, Glycerol α-monochlorohydrin, Glyceryl chloride, Glyceryl α-chlorohydrin, U 5897, α-Chlorohydrin, α-Monochlorohydrin; object_uuid=fo-13ec556c2589e1bc |
| 261,993 | consensus_match | cas_match_labels | — | {"96-24-2":"exactMatch"} | group_key=3-chloropropane-1,2-diol||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'96-24-2': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-13ec556c2589e1bc: {'96-24-2': 'exactMatch'} |
| 273,545 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H7ClO2"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H7ClO2"]… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '3-chloropropane-1,2-diol' |
| 279,902 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H7ClO2"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H7ClO2"]… | rdkit_post_consensus from 'OCC(O)CCl'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 287,336 | strip_catalogue_altlabels | altLabel | [{"@value":"(RS)-3-chloro-1,2-propanediol","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:was… | [{"@value":"(RS)-3-chloro-1,2-propanediol","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:was… | Removed 1 catalogue altLabel value(s): 'U 5897' (grade code) |
| 337,469 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/69fbf9d4-3315-… | associations resolved on the elementary layer |
| 387,823 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H7ClO2"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H7ClO2"]… | typed the way the ontology types it |
| 394,314 | 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/20260820T0738569779880000/332 | prefLabel | ef:agent/bootstrap_labels | ef:flow/69fbf9d4-3315-45a1-b5c0-1138421fbc81/v0 | ef:flow/69fbf9d4-3315-45a1-b5c0-1138421fbc81/v1 |
| ef:activity/change/20260820T0738569779880000/333 | name | ef:agent/bootstrap_labels | ef:flow/69fbf9d4-3315-45a1-b5c0-1138421fbc81/v1 | ef:flow/69fbf9d4-3315-45a1-b5c0-1138421fbc81/v2 |
| ef:activity/change/20260820T0738569779880000/334 | synonyms | ef:agent/bootstrap_labels | ef:flow/69fbf9d4-3315-45a1-b5c0-1138421fbc81/v2 | ef:flow/69fbf9d4-3315-45a1-b5c0-1138421fbc81/v3 |
| ef:activity/change/20260820T0738569779880000/112900 | context | ef:agent/default_context_mapping | ef:flow/69fbf9d4-3315-45a1-b5c0-1138421fbc81/v3 | ef:flow/69fbf9d4-3315-45a1-b5c0-1138421fbc81/v4 |
| ef:activity/change/20260820T0738569779880000/112901 | context_iri | ef:agent/default_context_mapping | ef:flow/69fbf9d4-3315-45a1-b5c0-1138421fbc81/v4 | ef:flow/69fbf9d4-3315-45a1-b5c0-1138421fbc81/v5 |
| ef:activity/change/20260820T0738569779880000/213449 | unit_iri | ef:agent/unit_normalization | ef:flow/69fbf9d4-3315-45a1-b5c0-1138421fbc81/v5 | ef:flow/69fbf9d4-3315-45a1-b5c0-1138421fbc81/v6 |
| ef:activity/change/20260820T0738569779880000/227487 | properties | ef:agent/enrich_references | ef:flow/69fbf9d4-3315-45a1-b5c0-1138421fbc81/v6 | ef:flow/69fbf9d4-3315-45a1-b5c0-1138421fbc81/v7 |
| ef:activity/change/20260820T0738569779880000/227488 | skos_definition | ef:agent/enrich_references | ef:flow/69fbf9d4-3315-45a1-b5c0-1138421fbc81/v7 | ef:flow/69fbf9d4-3315-45a1-b5c0-1138421fbc81/v8 |
| ef:activity/change/20260820T0738569779880000/227489 | references | ef:agent/enrich_references | ef:flow/69fbf9d4-3315-45a1-b5c0-1138421fbc81/v8 | ef:flow/69fbf9d4-3315-45a1-b5c0-1138421fbc81/v9 |
| ef:activity/change/20260820T0738569779880000/248405 | properties | ef:agent/rdkit_pre_consensus | ef:flow/69fbf9d4-3315-45a1-b5c0-1138421fbc81/v9 | ef:flow/69fbf9d4-3315-45a1-b5c0-1138421fbc81/v10 |
| ef:activity/change/20260820T0738569779880000/254425 | altLabel | ef:agent/chebi_altlabels | ef:flow/69fbf9d4-3315-45a1-b5c0-1138421fbc81/v10 | ef:flow/69fbf9d4-3315-45a1-b5c0-1138421fbc81/v11 |
| ef:activity/change/20260820T0738569779880000/261992 | altLabel | ef:agent/consensus_match | ef:flow/69fbf9d4-3315-45a1-b5c0-1138421fbc81/v11 | ef:flow/69fbf9d4-3315-45a1-b5c0-1138421fbc81/v12 |
| ef:activity/change/20260820T0738569779880000/261993 | cas_match_labels | ef:agent/consensus_match | ef:flow/69fbf9d4-3315-45a1-b5c0-1138421fbc81/v12 | ef:flow/69fbf9d4-3315-45a1-b5c0-1138421fbc81/v13 |
| ef:activity/change/20260820T0738569779880000/273545 | properties | ef:agent/opsin_iupac | ef:flow/69fbf9d4-3315-45a1-b5c0-1138421fbc81/v13 | ef:flow/69fbf9d4-3315-45a1-b5c0-1138421fbc81/v14 |
| ef:activity/change/20260820T0738569779880000/279902 | properties | ef:agent/rdkit_post_consensus | ef:flow/69fbf9d4-3315-45a1-b5c0-1138421fbc81/v14 | ef:flow/69fbf9d4-3315-45a1-b5c0-1138421fbc81/v15 |
| ef:activity/change/20260820T0738569779880000/287336 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/69fbf9d4-3315-45a1-b5c0-1138421fbc81/v15 | ef:flow/69fbf9d4-3315-45a1-b5c0-1138421fbc81/v16 |
| ef:activity/change/20260820T0738569779880000/337469 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/69fbf9d4-3315-45a1-b5c0-1138421fbc81/v16 | ef:flow/69fbf9d4-3315-45a1-b5c0-1138421fbc81/v17 |
| ef:activity/change/20260820T0738569779880000/387823 | properties | ef:agent/normalise_property_values | ef:flow/69fbf9d4-3315-45a1-b5c0-1138421fbc81/v17 | ef:flow/69fbf9d4-3315-45a1-b5c0-1138421fbc81/v18 |
| ef:activity/change/20260820T0738569779880000/394314 | types | ef:agent/link_flows_to_their_substance | ef:flow/69fbf9d4-3315-45a1-b5c0-1138421fbc81/v18 | ef:flow/69fbf9d4-3315-45a1-b5c0-1138421fbc81/v19 |