Hexadecanoyl Chloride
Everything that changed this flow. Back to the flow
3aae371a-fdb0-47fd-afab-1e3ffbc974f6
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 1 catalogue altLabel value(s): 'NSC 9854' (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=hexadecanoylchloride||dimension=Environmental > media=Water > water_body=Long-term; group_sources=['ec_inventory', 'pubchem']; cas_sources={'112-67-4': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-f691fec2f5399bb4: {'112-67-4': '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=['112-67-4']; matched_chebi_ids=[]; candidate_pubchem_cids=[8206, 70705, 163342059]; selected_pubchem_cids=[8206]; 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 |
|---|---|---|---|---|---|
| 17,245 | bootstrap_labels | prefLabel | — | [{"@value":"hexadecanoyl chloride","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttribu… | Bootstrapped prefLabel from legacy name field |
| 17,246 | bootstrap_labels | name | hexadecanoyl chloride | — | Purged legacy name field to enforce prefLabel usage |
| 17,247 | bootstrap_labels | synonyms | ["organic","palmitoylchloride","c16/c18-carbonsã¤urechlorid","hexadecanoicacidchloride","hexadecanoylchloride(9ci)","pa… | [] | Removed legacy synonyms field in favor of structured labels |
| 75,464 | 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 |
| 75,465 | 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 |
| 218,990 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 225,039 | normalize_name_case | prefLabel | [{"@value":"hexadecanoyl chloride","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttribu… | [{"@value":"Hexadecanoyl Chloride","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttribu… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 243,355 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H31ClO"… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 243,356 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 243,357 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J110.173K","provenance":{"prov:wasGeneratedBy":"enrich_referen… | Added references with provenance; cas_numbers=['112-67-4']; matched_chebi_ids=[]; candidate_pubchem_cids=[8206, 70705, 163342059]; selected_pubchem_cids=[8206]; 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 |
| 252,974 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H31ClO"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H31ClO"… | rdkit_pre_consensus from 'CCCCCCCCCCCCCCCC(=O)Cl'; added: molecular_mass, monoisotopic_mass |
| 267,635 | consensus_match | altLabel | [] | [{"@value":"Hexadecanoic acid chloride","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAtt… | group_key=hexadecanoylchloride||dimension=Environmental > media=Water > water_body=Long-term; cas=112-67-4; added Common Chemistry CAS names as altLabel: Hexadecanoic acid chloride, NSC 9854, Palmitic acid chloride, Palmitic chloride, Palmitoyl chloride, Palmityl acid chloride; object_uuid=fo-f691fec2f5399bb4 |
| 267,636 | consensus_match | cas_match_labels | — | {"112-67-4":"exactMatch"} | group_key=hexadecanoylchloride||dimension=Environmental > media=Water > water_body=Long-term; group_sources=['ec_inventory', 'pubchem']; cas_sources={'112-67-4': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-f691fec2f5399bb4: {'112-67-4': 'exactMatch'} |
| 278,178 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H31ClO"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H31ClO"… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Hexadecanoyl Chloride' |
| 284,919 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H31ClO"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H31ClO"… | rdkit_post_consensus from 'CCCCCCCCCCCCCCCC(=O)Cl'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 290,749 | strip_catalogue_altlabels | altLabel | [{"@value":"Hexadecanoic acid chloride","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAtt… | [{"@value":"Hexadecanoic acid chloride","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAtt… | Removed 1 catalogue altLabel value(s): 'NSC 9854' (registry code) |
| 318,747 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/3aae371a-fdb0-… | associations resolved on the elementary layer |
| 392,530 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H31ClO"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H31ClO"… | typed the way the ontology types it |
| 401,050 | 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/20260822T0600486828500000/17245 | prefLabel | ef:agent/bootstrap_labels | ef:flow/3aae371a-fdb0-47fd-afab-1e3ffbc974f6/v0 | ef:flow/3aae371a-fdb0-47fd-afab-1e3ffbc974f6/v1 |
| ef:activity/change/20260822T0600486828500000/17246 | name | ef:agent/bootstrap_labels | ef:flow/3aae371a-fdb0-47fd-afab-1e3ffbc974f6/v1 | ef:flow/3aae371a-fdb0-47fd-afab-1e3ffbc974f6/v2 |
| ef:activity/change/20260822T0600486828500000/17247 | synonyms | ef:agent/bootstrap_labels | ef:flow/3aae371a-fdb0-47fd-afab-1e3ffbc974f6/v2 | ef:flow/3aae371a-fdb0-47fd-afab-1e3ffbc974f6/v3 |
| ef:activity/change/20260822T0600486828500000/75464 | context | ef:agent/default_context_mapping | ef:flow/3aae371a-fdb0-47fd-afab-1e3ffbc974f6/v3 | ef:flow/3aae371a-fdb0-47fd-afab-1e3ffbc974f6/v4 |
| ef:activity/change/20260822T0600486828500000/75465 | context_iri | ef:agent/default_context_mapping | ef:flow/3aae371a-fdb0-47fd-afab-1e3ffbc974f6/v4 | ef:flow/3aae371a-fdb0-47fd-afab-1e3ffbc974f6/v5 |
| ef:activity/change/20260822T0600486828500000/218990 | unit_iri | ef:agent/unit_normalization | ef:flow/3aae371a-fdb0-47fd-afab-1e3ffbc974f6/v5 | ef:flow/3aae371a-fdb0-47fd-afab-1e3ffbc974f6/v6 |
| ef:activity/change/20260822T0600486828500000/225039 | prefLabel | ef:agent/normalize_name_case | ef:flow/3aae371a-fdb0-47fd-afab-1e3ffbc974f6/v6 | ef:flow/3aae371a-fdb0-47fd-afab-1e3ffbc974f6/v7 |
| ef:activity/change/20260822T0600486828500000/243355 | properties | ef:agent/enrich_references | ef:flow/3aae371a-fdb0-47fd-afab-1e3ffbc974f6/v7 | ef:flow/3aae371a-fdb0-47fd-afab-1e3ffbc974f6/v8 |
| ef:activity/change/20260822T0600486828500000/243356 | skos_definition | ef:agent/enrich_references | ef:flow/3aae371a-fdb0-47fd-afab-1e3ffbc974f6/v8 | ef:flow/3aae371a-fdb0-47fd-afab-1e3ffbc974f6/v9 |
| ef:activity/change/20260822T0600486828500000/243357 | references | ef:agent/enrich_references | ef:flow/3aae371a-fdb0-47fd-afab-1e3ffbc974f6/v9 | ef:flow/3aae371a-fdb0-47fd-afab-1e3ffbc974f6/v10 |
| ef:activity/change/20260822T0600486828500000/252974 | properties | ef:agent/rdkit_pre_consensus | ef:flow/3aae371a-fdb0-47fd-afab-1e3ffbc974f6/v10 | ef:flow/3aae371a-fdb0-47fd-afab-1e3ffbc974f6/v11 |
| ef:activity/change/20260822T0600486828500000/267635 | altLabel | ef:agent/consensus_match | ef:flow/3aae371a-fdb0-47fd-afab-1e3ffbc974f6/v11 | ef:flow/3aae371a-fdb0-47fd-afab-1e3ffbc974f6/v12 |
| ef:activity/change/20260822T0600486828500000/267636 | cas_match_labels | ef:agent/consensus_match | ef:flow/3aae371a-fdb0-47fd-afab-1e3ffbc974f6/v12 | ef:flow/3aae371a-fdb0-47fd-afab-1e3ffbc974f6/v13 |
| ef:activity/change/20260822T0600486828500000/278178 | properties | ef:agent/opsin_iupac | ef:flow/3aae371a-fdb0-47fd-afab-1e3ffbc974f6/v13 | ef:flow/3aae371a-fdb0-47fd-afab-1e3ffbc974f6/v14 |
| ef:activity/change/20260822T0600486828500000/284919 | properties | ef:agent/rdkit_post_consensus | ef:flow/3aae371a-fdb0-47fd-afab-1e3ffbc974f6/v14 | ef:flow/3aae371a-fdb0-47fd-afab-1e3ffbc974f6/v15 |
| ef:activity/change/20260822T0600486828500000/290749 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/3aae371a-fdb0-47fd-afab-1e3ffbc974f6/v15 | ef:flow/3aae371a-fdb0-47fd-afab-1e3ffbc974f6/v16 |
| ef:activity/change/20260822T0600486828500000/318747 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/3aae371a-fdb0-47fd-afab-1e3ffbc974f6/v16 | ef:flow/3aae371a-fdb0-47fd-afab-1e3ffbc974f6/v17 |
| ef:activity/change/20260822T0600486828500000/392530 | properties | ef:agent/normalise_property_values | ef:flow/3aae371a-fdb0-47fd-afab-1e3ffbc974f6/v17 | ef:flow/3aae371a-fdb0-47fd-afab-1e3ffbc974f6/v18 |
| ef:activity/change/20260822T0600486828500000/401050 | types | ef:agent/link_flows_to_their_substance | ef:flow/3aae371a-fdb0-47fd-afab-1e3ffbc974f6/v18 | ef:flow/3aae371a-fdb0-47fd-afab-1e3ffbc974f6/v19 |