Octadecanoyl Chloride
Everything that changed this flow. Back to the flow
b3f4de2f-e08b-4e97-adb4-e845a486b52b
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 |
| prefLabel | 2 | bootstrap_labels, normalize_name_case | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| altLabel | 1 | consensus_match | group_key=octadecanoylchloride||dimension=Environmental > media=Water > water_body=Unknown; cas=112-76-5; added Common Chemistry CAS names as altLabel: Octadecanoic acid chloride, Octadecyloyl chloride, Stearic acid chloride, Stearic chloride, Stearoyl chloride, Stearyl acid chloride, Stearyl chloride; object_uuid=fo-575d31ae54c82de6 |
| cas_match_labels | 1 | consensus_match | group_key=octadecanoylchloride||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'112-76-5': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-575d31ae54c82de6: {'112-76-5': '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=['112-76-5']; matched_chebi_ids=[]; candidate_pubchem_cids=[8212, 18815]; selected_pubchem_cids=[8212]; 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
18| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 17,276 | bootstrap_labels | prefLabel | — | [{"@value":"octadecanoyl chloride","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttribu… | Bootstrapped prefLabel from legacy name field |
| 17,277 | bootstrap_labels | name | octadecanoyl chloride | — | Purged legacy name field to enforce prefLabel usage |
| 17,278 | bootstrap_labels | synonyms | ["organic","stearoylchloride","octadecanoylchloride(9ci)","stearicacidchloride","stearicchloride","stearinsaeurechlorid… | [] | Removed legacy synonyms field in favor of structured labels |
| 156,688 | 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 |
| 156,689 | 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 |
| 219,001 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 225,044 | normalize_name_case | prefLabel | [{"@value":"octadecanoyl chloride","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttribu… | [{"@value":"Octadecanoyl 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) |
| 243,382 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C18H35ClO"… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 243,383 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 243,384 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J110.175G","provenance":{"prov:wasGeneratedBy":"enrich_referen… | Added references with provenance; cas_numbers=['112-76-5']; matched_chebi_ids=[]; candidate_pubchem_cids=[8212, 18815]; selected_pubchem_cids=[8212]; 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 |
| 252,983 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C18H35ClO"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C18H35ClO"… | rdkit_pre_consensus from 'CCCCCCCCCCCCCCCCCC(=O)Cl'; added: molecular_mass, monoisotopic_mass |
| 270,116 | consensus_match | altLabel | [] | [{"@value":"Octadecanoic acid chloride","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAtt… | group_key=octadecanoylchloride||dimension=Environmental > media=Water > water_body=Unknown; cas=112-76-5; added Common Chemistry CAS names as altLabel: Octadecanoic acid chloride, Octadecyloyl chloride, Stearic acid chloride, Stearic chloride, Stearoyl chloride, Stearyl acid chloride, Stearyl chloride; object_uuid=fo-575d31ae54c82de6 |
| 270,117 | consensus_match | cas_match_labels | — | {"112-76-5":"exactMatch"} | group_key=octadecanoylchloride||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'112-76-5': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-575d31ae54c82de6: {'112-76-5': 'exactMatch'} |
| 278,186 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C18H35ClO"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C18H35ClO"… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Octadecanoyl Chloride' |
| 284,928 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C18H35ClO"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C18H35ClO"… | rdkit_post_consensus from 'CCCCCCCCCCCCCCCCCC(=O)Cl'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 359,369 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/b3f4de2f-e08b-… | associations resolved on the elementary layer |
| 392,539 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C18H35ClO"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C18H35ClO"… | typed the way the ontology types it |
| 401,063 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
PROV-O trail
18 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/20260822T0600486828500000/17276 | prefLabel | ef:agent/bootstrap_labels | ef:flow/b3f4de2f-e08b-4e97-adb4-e845a486b52b/v0 | ef:flow/b3f4de2f-e08b-4e97-adb4-e845a486b52b/v1 |
| ef:activity/change/20260822T0600486828500000/17277 | name | ef:agent/bootstrap_labels | ef:flow/b3f4de2f-e08b-4e97-adb4-e845a486b52b/v1 | ef:flow/b3f4de2f-e08b-4e97-adb4-e845a486b52b/v2 |
| ef:activity/change/20260822T0600486828500000/17278 | synonyms | ef:agent/bootstrap_labels | ef:flow/b3f4de2f-e08b-4e97-adb4-e845a486b52b/v2 | ef:flow/b3f4de2f-e08b-4e97-adb4-e845a486b52b/v3 |
| ef:activity/change/20260822T0600486828500000/156688 | context | ef:agent/default_context_mapping | ef:flow/b3f4de2f-e08b-4e97-adb4-e845a486b52b/v3 | ef:flow/b3f4de2f-e08b-4e97-adb4-e845a486b52b/v4 |
| ef:activity/change/20260822T0600486828500000/156689 | context_iri | ef:agent/default_context_mapping | ef:flow/b3f4de2f-e08b-4e97-adb4-e845a486b52b/v4 | ef:flow/b3f4de2f-e08b-4e97-adb4-e845a486b52b/v5 |
| ef:activity/change/20260822T0600486828500000/219001 | unit_iri | ef:agent/unit_normalization | ef:flow/b3f4de2f-e08b-4e97-adb4-e845a486b52b/v5 | ef:flow/b3f4de2f-e08b-4e97-adb4-e845a486b52b/v6 |
| ef:activity/change/20260822T0600486828500000/225044 | prefLabel | ef:agent/normalize_name_case | ef:flow/b3f4de2f-e08b-4e97-adb4-e845a486b52b/v6 | ef:flow/b3f4de2f-e08b-4e97-adb4-e845a486b52b/v7 |
| ef:activity/change/20260822T0600486828500000/243382 | properties | ef:agent/enrich_references | ef:flow/b3f4de2f-e08b-4e97-adb4-e845a486b52b/v7 | ef:flow/b3f4de2f-e08b-4e97-adb4-e845a486b52b/v8 |
| ef:activity/change/20260822T0600486828500000/243383 | skos_definition | ef:agent/enrich_references | ef:flow/b3f4de2f-e08b-4e97-adb4-e845a486b52b/v8 | ef:flow/b3f4de2f-e08b-4e97-adb4-e845a486b52b/v9 |
| ef:activity/change/20260822T0600486828500000/243384 | references | ef:agent/enrich_references | ef:flow/b3f4de2f-e08b-4e97-adb4-e845a486b52b/v9 | ef:flow/b3f4de2f-e08b-4e97-adb4-e845a486b52b/v10 |
| ef:activity/change/20260822T0600486828500000/252983 | properties | ef:agent/rdkit_pre_consensus | ef:flow/b3f4de2f-e08b-4e97-adb4-e845a486b52b/v10 | ef:flow/b3f4de2f-e08b-4e97-adb4-e845a486b52b/v11 |
| ef:activity/change/20260822T0600486828500000/270116 | altLabel | ef:agent/consensus_match | ef:flow/b3f4de2f-e08b-4e97-adb4-e845a486b52b/v11 | ef:flow/b3f4de2f-e08b-4e97-adb4-e845a486b52b/v12 |
| ef:activity/change/20260822T0600486828500000/270117 | cas_match_labels | ef:agent/consensus_match | ef:flow/b3f4de2f-e08b-4e97-adb4-e845a486b52b/v12 | ef:flow/b3f4de2f-e08b-4e97-adb4-e845a486b52b/v13 |
| ef:activity/change/20260822T0600486828500000/278186 | properties | ef:agent/opsin_iupac | ef:flow/b3f4de2f-e08b-4e97-adb4-e845a486b52b/v13 | ef:flow/b3f4de2f-e08b-4e97-adb4-e845a486b52b/v14 |
| ef:activity/change/20260822T0600486828500000/284928 | properties | ef:agent/rdkit_post_consensus | ef:flow/b3f4de2f-e08b-4e97-adb4-e845a486b52b/v14 | ef:flow/b3f4de2f-e08b-4e97-adb4-e845a486b52b/v15 |
| ef:activity/change/20260822T0600486828500000/359369 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/b3f4de2f-e08b-4e97-adb4-e845a486b52b/v15 | ef:flow/b3f4de2f-e08b-4e97-adb4-e845a486b52b/v16 |
| ef:activity/change/20260822T0600486828500000/392539 | properties | ef:agent/normalise_property_values | ef:flow/b3f4de2f-e08b-4e97-adb4-e845a486b52b/v16 | ef:flow/b3f4de2f-e08b-4e97-adb4-e845a486b52b/v17 |
| ef:activity/change/20260822T0600486828500000/401063 | types | ef:agent/link_flows_to_their_substance | ef:flow/b3f4de2f-e08b-4e97-adb4-e845a486b52b/v17 | ef:flow/b3f4de2f-e08b-4e97-adb4-e845a486b52b/v18 |