Azelaic Acid
Everything that changed this flow. Back to the flow
3680d8f3-217b-4a9b-936a-fc29ea38e76f
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 6 catalogue altLabel value(s): 'Emerox 1144' (trade name), 'Emery 1110' (trade name), 'Emery 1144' (trade name), 'Empol 1144' (trade name), 'NSC 19493' (registry code), 'ZK 62498' (grade 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=azelaicacid||dimension=Environmental > media=Water > water_body=Long-term; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'123-99-9': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-88de81388625f263: {'123-99-9': '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 |
| 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 |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['123-99-9']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_48131']; candidate_pubchem_cids=[2266, 3801344, 19347555]; selected_pubchem_cids=[2266]; 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 |
|---|---|---|---|---|---|
| 15,823 | bootstrap_labels | prefLabel | — | [{"@value":"azelaic acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"c… | Bootstrapped prefLabel from legacy name field |
| 15,824 | bootstrap_labels | name | azelaic acid | — | Purged legacy name field to enforce prefLabel usage |
| 15,825 | bootstrap_labels | synonyms | ["organic","azelaicacid","crodaciddc1195","ã?cidoazelaico"] | [] | Removed legacy synonyms field in favor of structured labels |
| 73,016 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified |
| 73,017 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified |
| 218,540 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 224,732 | normalize_name_case | prefLabel | [{"@value":"azelaic acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"c… | [{"@value":"Azelaic Acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"c… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 242,083 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H16O4"],… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 242,084 | enrich_references | skos_definition | — | [{"@value":"An α,ω-dicarboxylic acid that is heptane substituted at positions 1 and 7 by carboxy groups.","@language":"… | Merged ChEBI/PubChem definitions into skos:definition |
| 242,085 | enrich_references | references | [] | [{"@id":"beilstein:1101094","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedTo":… | Added references with provenance; cas_numbers=['123-99-9']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_48131']; candidate_pubchem_cids=[2266, 3801344, 19347555]; selected_pubchem_cids=[2266]; 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 |
| 252,614 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H16O4"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H16O4"],… | rdkit_pre_consensus from 'C(CCCC(=O)O)CCCC(=O)O'; added: monoisotopic_mass |
| 256,475 | chebi_altlabels | altLabel | [] | [{"@value":"1,7-Heptanedicarboxylic acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasA… | Added 15 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 263,972 | consensus_match | altLabel | [{"@value":"1,7-Heptanedicarboxylic acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasA… | [{"@value":"1,7-Heptanedicarboxylic acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasA… | group_key=azelaicacid||dimension=Environmental > media=Water > water_body=Long-term; cas=123-99-9; added Common Chemistry CAS names as altLabel: Azelic acid, Aziderm, Crodacid DC 1195, Emerox 1144, Emery 1110, Emery 1144, Empol 1144, NSC 19493, ZK 62498, α,ω-Nonanedioic acid; object_uuid=fo-88de81388625f263 |
| 263,973 | consensus_match | cas_match_labels | — | {"123-99-9":"exactMatch"} | group_key=azelaicacid||dimension=Environmental > media=Water > water_body=Long-term; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'123-99-9': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-88de81388625f263: {'123-99-9': 'exactMatch'} |
| 277,819 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H16O4"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H16O4"],… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Azelaic Acid' |
| 284,524 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H16O4"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H16O4"],… | rdkit_post_consensus from 'O=C(O)CCCCCCCC(=O)O'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 290,478 | strip_catalogue_altlabels | altLabel | [{"@value":"1,7-Heptanedicarboxylic acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasA… | [{"@value":"1,7-Heptanedicarboxylic acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasA… | Removed 6 catalogue altLabel value(s): 'Emerox 1144' (trade name), 'Emery 1110' (trade name), 'Emery 1144' (trade name), 'Empol 1144' (trade name), 'NSC 19493' (registry code), 'ZK 62498' (grade code) |
| 317,525 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/3680d8f3-217b-… | associations resolved on the elementary layer |
| 392,175 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H16O4"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H16O4"],… | typed the way the ontology types it |
| 400,513 | 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/20260821T1554374006150000/15823 | prefLabel | ef:agent/bootstrap_labels | ef:flow/3680d8f3-217b-4a9b-936a-fc29ea38e76f/v0 | ef:flow/3680d8f3-217b-4a9b-936a-fc29ea38e76f/v1 |
| ef:activity/change/20260821T1554374006150000/15824 | name | ef:agent/bootstrap_labels | ef:flow/3680d8f3-217b-4a9b-936a-fc29ea38e76f/v1 | ef:flow/3680d8f3-217b-4a9b-936a-fc29ea38e76f/v2 |
| ef:activity/change/20260821T1554374006150000/15825 | synonyms | ef:agent/bootstrap_labels | ef:flow/3680d8f3-217b-4a9b-936a-fc29ea38e76f/v2 | ef:flow/3680d8f3-217b-4a9b-936a-fc29ea38e76f/v3 |
| ef:activity/change/20260821T1554374006150000/73016 | context | ef:agent/default_context_mapping | ef:flow/3680d8f3-217b-4a9b-936a-fc29ea38e76f/v3 | ef:flow/3680d8f3-217b-4a9b-936a-fc29ea38e76f/v4 |
| ef:activity/change/20260821T1554374006150000/73017 | context_iri | ef:agent/default_context_mapping | ef:flow/3680d8f3-217b-4a9b-936a-fc29ea38e76f/v4 | ef:flow/3680d8f3-217b-4a9b-936a-fc29ea38e76f/v5 |
| ef:activity/change/20260821T1554374006150000/218540 | unit_iri | ef:agent/unit_normalization | ef:flow/3680d8f3-217b-4a9b-936a-fc29ea38e76f/v5 | ef:flow/3680d8f3-217b-4a9b-936a-fc29ea38e76f/v6 |
| ef:activity/change/20260821T1554374006150000/224732 | prefLabel | ef:agent/normalize_name_case | ef:flow/3680d8f3-217b-4a9b-936a-fc29ea38e76f/v6 | ef:flow/3680d8f3-217b-4a9b-936a-fc29ea38e76f/v7 |
| ef:activity/change/20260821T1554374006150000/242083 | properties | ef:agent/enrich_references | ef:flow/3680d8f3-217b-4a9b-936a-fc29ea38e76f/v7 | ef:flow/3680d8f3-217b-4a9b-936a-fc29ea38e76f/v8 |
| ef:activity/change/20260821T1554374006150000/242084 | skos_definition | ef:agent/enrich_references | ef:flow/3680d8f3-217b-4a9b-936a-fc29ea38e76f/v8 | ef:flow/3680d8f3-217b-4a9b-936a-fc29ea38e76f/v9 |
| ef:activity/change/20260821T1554374006150000/242085 | references | ef:agent/enrich_references | ef:flow/3680d8f3-217b-4a9b-936a-fc29ea38e76f/v9 | ef:flow/3680d8f3-217b-4a9b-936a-fc29ea38e76f/v10 |
| ef:activity/change/20260821T1554374006150000/252614 | properties | ef:agent/rdkit_pre_consensus | ef:flow/3680d8f3-217b-4a9b-936a-fc29ea38e76f/v10 | ef:flow/3680d8f3-217b-4a9b-936a-fc29ea38e76f/v11 |
| ef:activity/change/20260821T1554374006150000/256475 | altLabel | ef:agent/chebi_altlabels | ef:flow/3680d8f3-217b-4a9b-936a-fc29ea38e76f/v11 | ef:flow/3680d8f3-217b-4a9b-936a-fc29ea38e76f/v12 |
| ef:activity/change/20260821T1554374006150000/263972 | altLabel | ef:agent/consensus_match | ef:flow/3680d8f3-217b-4a9b-936a-fc29ea38e76f/v12 | ef:flow/3680d8f3-217b-4a9b-936a-fc29ea38e76f/v13 |
| ef:activity/change/20260821T1554374006150000/263973 | cas_match_labels | ef:agent/consensus_match | ef:flow/3680d8f3-217b-4a9b-936a-fc29ea38e76f/v13 | ef:flow/3680d8f3-217b-4a9b-936a-fc29ea38e76f/v14 |
| ef:activity/change/20260821T1554374006150000/277819 | properties | ef:agent/opsin_iupac | ef:flow/3680d8f3-217b-4a9b-936a-fc29ea38e76f/v14 | ef:flow/3680d8f3-217b-4a9b-936a-fc29ea38e76f/v15 |
| ef:activity/change/20260821T1554374006150000/284524 | properties | ef:agent/rdkit_post_consensus | ef:flow/3680d8f3-217b-4a9b-936a-fc29ea38e76f/v15 | ef:flow/3680d8f3-217b-4a9b-936a-fc29ea38e76f/v16 |
| ef:activity/change/20260821T1554374006150000/290478 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/3680d8f3-217b-4a9b-936a-fc29ea38e76f/v16 | ef:flow/3680d8f3-217b-4a9b-936a-fc29ea38e76f/v17 |
| ef:activity/change/20260821T1554374006150000/317525 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/3680d8f3-217b-4a9b-936a-fc29ea38e76f/v17 | ef:flow/3680d8f3-217b-4a9b-936a-fc29ea38e76f/v18 |
| ef:activity/change/20260821T1554374006150000/392175 | properties | ef:agent/normalise_property_values | ef:flow/3680d8f3-217b-4a9b-936a-fc29ea38e76f/v18 | ef:flow/3680d8f3-217b-4a9b-936a-fc29ea38e76f/v19 |
| ef:activity/change/20260821T1554374006150000/400513 | types | ef:agent/link_flows_to_their_substance | ef:flow/3680d8f3-217b-4a9b-936a-fc29ea38e76f/v19 | ef:flow/3680d8f3-217b-4a9b-936a-fc29ea38e76f/v20 |