Docosanoic Acid
Everything that changed this flow. Back to the flow
f4afbd38-a87d-4b76-bb92-086340c0f0d6
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 9 catalogue altLabel value(s): 'B 95' (grade code), 'B 95 (acid)' (grade code), 'EXL 5' (grade code), 'Hydrofol Acid 560' (trade name), 'NAA 222S' (grade code), 'NAA 22S' (grade code), 'NSC 32364' (registry code), 'Prifac 2987' (trade name), 'Prifrac 2989' (trade name) |
| 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=docosanoicacid||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'112-85-6': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-b5d8d817a7e7521a: {'112-85-6': '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 water > Emissions to water, unspecified (long-term) |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified (long-term) |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['112-85-6']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_28941']; candidate_pubchem_cids=[8215, 164971]; selected_pubchem_cids=[8215]; 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 |
|---|---|---|---|---|---|
| 21,571 | bootstrap_labels | prefLabel | — | [{"@value":"docosanoic acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo"… | Bootstrapped prefLabel from legacy name field |
| 21,572 | bootstrap_labels | name | docosanoic acid | — | Purged legacy name field to enforce prefLabel usage |
| 21,573 | bootstrap_labels | synonyms | ["organic","docosanoicacid","palmera","radiacid0560"] | [] | Removed legacy synonyms field in favor of structured labels |
| 196,880 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Long-term"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified (long-term) |
| 196,881 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-lote | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified (long-term) |
| 220,252 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 225,967 | normalize_name_case | prefLabel | [{"@value":"docosanoic acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo"… | [{"@value":"Docosanoic Acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo"… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 246,860 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C22H44O2"]… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 246,861 | enrich_references | skos_definition | — | [{"@value":"A straight-chain, C22, long-chain saturated fatty acid.","@language":"en","provenance":{"prov:wasGeneratedB… | Merged ChEBI/PubChem definitions into skos:definition |
| 246,862 | enrich_references | references | [] | [{"@id":"drugcentral:3855","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedTo":"… | Added references with provenance; cas_numbers=['112-85-6']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_28941']; candidate_pubchem_cids=[8215, 164971]; selected_pubchem_cids=[8215]; 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 |
| 253,998 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C22H44O2"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C22H44O2"]… | rdkit_pre_consensus from 'CCCCCCCCCCCCCCCCCCCCCC(=O)O'; added: monoisotopic_mass |
| 257,100 | chebi_altlabels | altLabel | [] | [{"@value":"1-docosanoic acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo… | Added 11 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 266,582 | consensus_match | altLabel | [{"@value":"1-docosanoic acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo… | [{"@value":"1-docosanoic acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo… | group_key=docosanoicacid||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=112-85-6; added Common Chemistry CAS names as altLabel: B 100DF, B 95, B 95 (acid), EXL 5, Edenor C 22-85R, Edenor C 22-85RGS, Glycon B 70, Hydrofol 2022-55, Hydrofol Acid 560, NAA 222S, NAA 22S, NSC 32364, Prifac 2987, Prifrac 2989; object_uuid=fo-b5d8d817a7e7521a |
| 266,583 | consensus_match | cas_match_labels | — | {"112-85-6":"exactMatch"} | group_key=docosanoicacid||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'112-85-6': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-b5d8d817a7e7521a: {'112-85-6': 'exactMatch'} |
| 279,191 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C22H44O2"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C22H44O2"]… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Docosanoic Acid' |
| 286,048 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C22H44O2"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C22H44O2"]… | rdkit_post_consensus from 'CCCCCCCCCCCCCCCCCCCCCC(=O)O'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 291,484 | strip_catalogue_altlabels | altLabel | [{"@value":"1-docosanoic acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo… | [{"@value":"1-docosanoic acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo… | Removed 9 catalogue altLabel value(s): 'B 95' (grade code), 'B 95 (acid)' (grade code), 'EXL 5' (grade code), 'Hydrofol Acid 560' (trade name), 'NAA 222S' (grade code), 'NAA 22S' (grade code), 'NSC 32364' (registry code), 'Prifac 2987' (trade name), 'Prifrac 2989' (trade name) |
| 379,474 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/f4afbd38-a87d-… | associations resolved on the elementary layer |
| 393,577 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C22H44O2"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C22H44O2"]… | typed the way the ontology types it |
| 402,645 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | 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/20260822T0600486828500000/21571 | prefLabel | ef:agent/bootstrap_labels | ef:flow/f4afbd38-a87d-4b76-bb92-086340c0f0d6/v0 | ef:flow/f4afbd38-a87d-4b76-bb92-086340c0f0d6/v1 |
| ef:activity/change/20260822T0600486828500000/21572 | name | ef:agent/bootstrap_labels | ef:flow/f4afbd38-a87d-4b76-bb92-086340c0f0d6/v1 | ef:flow/f4afbd38-a87d-4b76-bb92-086340c0f0d6/v2 |
| ef:activity/change/20260822T0600486828500000/21573 | synonyms | ef:agent/bootstrap_labels | ef:flow/f4afbd38-a87d-4b76-bb92-086340c0f0d6/v2 | ef:flow/f4afbd38-a87d-4b76-bb92-086340c0f0d6/v3 |
| ef:activity/change/20260822T0600486828500000/196880 | context | ef:agent/default_context_mapping | ef:flow/f4afbd38-a87d-4b76-bb92-086340c0f0d6/v3 | ef:flow/f4afbd38-a87d-4b76-bb92-086340c0f0d6/v4 |
| ef:activity/change/20260822T0600486828500000/196881 | context_iri | ef:agent/default_context_mapping | ef:flow/f4afbd38-a87d-4b76-bb92-086340c0f0d6/v4 | ef:flow/f4afbd38-a87d-4b76-bb92-086340c0f0d6/v5 |
| ef:activity/change/20260822T0600486828500000/220252 | unit_iri | ef:agent/unit_normalization | ef:flow/f4afbd38-a87d-4b76-bb92-086340c0f0d6/v5 | ef:flow/f4afbd38-a87d-4b76-bb92-086340c0f0d6/v6 |
| ef:activity/change/20260822T0600486828500000/225967 | prefLabel | ef:agent/normalize_name_case | ef:flow/f4afbd38-a87d-4b76-bb92-086340c0f0d6/v6 | ef:flow/f4afbd38-a87d-4b76-bb92-086340c0f0d6/v7 |
| ef:activity/change/20260822T0600486828500000/246860 | properties | ef:agent/enrich_references | ef:flow/f4afbd38-a87d-4b76-bb92-086340c0f0d6/v7 | ef:flow/f4afbd38-a87d-4b76-bb92-086340c0f0d6/v8 |
| ef:activity/change/20260822T0600486828500000/246861 | skos_definition | ef:agent/enrich_references | ef:flow/f4afbd38-a87d-4b76-bb92-086340c0f0d6/v8 | ef:flow/f4afbd38-a87d-4b76-bb92-086340c0f0d6/v9 |
| ef:activity/change/20260822T0600486828500000/246862 | references | ef:agent/enrich_references | ef:flow/f4afbd38-a87d-4b76-bb92-086340c0f0d6/v9 | ef:flow/f4afbd38-a87d-4b76-bb92-086340c0f0d6/v10 |
| ef:activity/change/20260822T0600486828500000/253998 | properties | ef:agent/rdkit_pre_consensus | ef:flow/f4afbd38-a87d-4b76-bb92-086340c0f0d6/v10 | ef:flow/f4afbd38-a87d-4b76-bb92-086340c0f0d6/v11 |
| ef:activity/change/20260822T0600486828500000/257100 | altLabel | ef:agent/chebi_altlabels | ef:flow/f4afbd38-a87d-4b76-bb92-086340c0f0d6/v11 | ef:flow/f4afbd38-a87d-4b76-bb92-086340c0f0d6/v12 |
| ef:activity/change/20260822T0600486828500000/266582 | altLabel | ef:agent/consensus_match | ef:flow/f4afbd38-a87d-4b76-bb92-086340c0f0d6/v12 | ef:flow/f4afbd38-a87d-4b76-bb92-086340c0f0d6/v13 |
| ef:activity/change/20260822T0600486828500000/266583 | cas_match_labels | ef:agent/consensus_match | ef:flow/f4afbd38-a87d-4b76-bb92-086340c0f0d6/v13 | ef:flow/f4afbd38-a87d-4b76-bb92-086340c0f0d6/v14 |
| ef:activity/change/20260822T0600486828500000/279191 | properties | ef:agent/opsin_iupac | ef:flow/f4afbd38-a87d-4b76-bb92-086340c0f0d6/v14 | ef:flow/f4afbd38-a87d-4b76-bb92-086340c0f0d6/v15 |
| ef:activity/change/20260822T0600486828500000/286048 | properties | ef:agent/rdkit_post_consensus | ef:flow/f4afbd38-a87d-4b76-bb92-086340c0f0d6/v15 | ef:flow/f4afbd38-a87d-4b76-bb92-086340c0f0d6/v16 |
| ef:activity/change/20260822T0600486828500000/291484 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/f4afbd38-a87d-4b76-bb92-086340c0f0d6/v16 | ef:flow/f4afbd38-a87d-4b76-bb92-086340c0f0d6/v17 |
| ef:activity/change/20260822T0600486828500000/379474 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/f4afbd38-a87d-4b76-bb92-086340c0f0d6/v17 | ef:flow/f4afbd38-a87d-4b76-bb92-086340c0f0d6/v18 |
| ef:activity/change/20260822T0600486828500000/393577 | properties | ef:agent/normalise_property_values | ef:flow/f4afbd38-a87d-4b76-bb92-086340c0f0d6/v18 | ef:flow/f4afbd38-a87d-4b76-bb92-086340c0f0d6/v19 |
| ef:activity/change/20260822T0600486828500000/402645 | types | ef:agent/link_flows_to_their_substance | ef:flow/f4afbd38-a87d-4b76-bb92-086340c0f0d6/v19 | ef:flow/f4afbd38-a87d-4b76-bb92-086340c0f0d6/v20 |