2,2,4(or 2,4,4)-trimethyladipic Acid
Everything that changed this flow. Back to the flow
255af1a0-2a27-4a81-abef-e240b1a22481
By field
13 fields| Field | Changes | Written by | Latest note |
|---|---|---|---|
| properties | 4 | enrich_references, normalise_property_values, rdkit_post_consensus, rdkit_pre_consensus | typed the way the ontology types it |
| altLabel | 2 | consensus_match, dedupe_altlabels | Deduplicated altLabel values and removed entries matching prefLabel |
| 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=2,2,4(or2,4,4)-trimethyladipicacid||dimension=Environmental > media=Air > strata=Long-term; group_sources=['ec_inventory']; cas_sources={'53445-37-7': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-ecc2edad0aa78e3f: {'53445-37-7': '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 air, indoor |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, indoor |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['53445-37-7']; matched_chebi_ids=[]; candidate_pubchem_cids=[103783, 213933]; selected_pubchem_cids=[103783]; 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 |
|---|---|---|---|---|---|
| 2,822 | bootstrap_labels | prefLabel | — | [{"@value":"2,2,4(or 2,4,4)-trimethyladipic acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","… | Bootstrapped prefLabel from legacy name field |
| 2,823 | bootstrap_labels | name | 2,2,4(or 2,4,4)-trimethyladipic acid | — | Purged legacy name field to enforce prefLabel usage |
| 19,042 | bootstrap_labels | synonyms | ["2,2,4(or2,4,4)-trimethyladipicacid","2,2,4(or 2,4,4)-trimethyladipic acid","2,2,4-trimethylhexandisфure","hexanedioic… | [] | Removed legacy synonyms field in favor of structured labels |
| 61,338 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","indoor":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, indoor |
| 61,339 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-indr-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, indoor |
| 214,280 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 221,735 | normalize_name_case | prefLabel | [{"@value":"2,2,4(or 2,4,4)-trimethyladipic acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","… | [{"@value":"2,2,4(or 2,4,4)-trimethyladipic Acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 229,892 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H16O4"],… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 229,893 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 229,894 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J216.222I","provenance":{"prov:wasGeneratedBy":"enrich_referen… | Added references with provenance; cas_numbers=['53445-37-7']; matched_chebi_ids=[]; candidate_pubchem_cids=[103783, 213933]; selected_pubchem_cids=[103783]; 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 |
| 249,099 | 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 'CC(CC(=O)O)CC(C)(C)C(=O)O'; added: molecular_mass, monoisotopic_mass |
| 259,550 | consensus_match | altLabel | [] | [{"@value":"2,2,4(<em>or</em> 2,4,4)-Trimethylhexanedioic acid","@language":"en","source":{"prov:wasGeneratedBy":"conse… | group_key=2,2,4(or2,4,4)-trimethyladipicacid||dimension=Environmental > media=Air > strata=Long-term; cas=53445-37-7; added Common Chemistry CAS names as altLabel: 2,2,4(<em>or</em> 2,4,4)-Trimethylhexanedioic acid, Hexanedioic acid, 2,2,4(<em>or</em> 2,4,4)-trimethyl-; object_uuid=fo-ecc2edad0aa78e3f |
| 259,551 | consensus_match | cas_match_labels | — | {"53445-37-7":"exactMatch"} | group_key=2,2,4(or2,4,4)-trimethyladipicacid||dimension=Environmental > media=Air > strata=Long-term; group_sources=['ec_inventory']; cas_sources={'53445-37-7': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-ecc2edad0aa78e3f: {'53445-37-7': 'exactMatch'} |
| 280,637 | 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 'CC(CC(=O)O)CC(C)(C)C(=O)O'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 292,123 | dedupe_altlabels | altLabel | [{"@value":"2,2,4(<em>or</em> 2,4,4)-Trimethylhexanedioic acid","@language":"en","source":{"prov:wasGeneratedBy":"conse… | [{"@value":"2,2,4(or 2,4,4)-Trimethylhexanedioic acid","@language":"en","source":{"prov:wasGeneratedBy":"consensus_matc… | Deduplicated altLabel values and removed entries matching prefLabel |
| 311,681 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/255af1a0-2a27-… | associations resolved on the elementary layer |
| 388,504 | 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 |
| 395,266 | 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/20260821T0609040591070000/2822 | prefLabel | ef:agent/bootstrap_labels | ef:flow/255af1a0-2a27-4a81-abef-e240b1a22481/v0 | ef:flow/255af1a0-2a27-4a81-abef-e240b1a22481/v1 |
| ef:activity/change/20260821T0609040591070000/2823 | name | ef:agent/bootstrap_labels | ef:flow/255af1a0-2a27-4a81-abef-e240b1a22481/v1 | ef:flow/255af1a0-2a27-4a81-abef-e240b1a22481/v2 |
| ef:activity/change/20260821T0609040591070000/19042 | synonyms | ef:agent/bootstrap_labels | ef:flow/255af1a0-2a27-4a81-abef-e240b1a22481/v2 | ef:flow/255af1a0-2a27-4a81-abef-e240b1a22481/v3 |
| ef:activity/change/20260821T0609040591070000/61338 | context | ef:agent/default_context_mapping | ef:flow/255af1a0-2a27-4a81-abef-e240b1a22481/v3 | ef:flow/255af1a0-2a27-4a81-abef-e240b1a22481/v4 |
| ef:activity/change/20260821T0609040591070000/61339 | context_iri | ef:agent/default_context_mapping | ef:flow/255af1a0-2a27-4a81-abef-e240b1a22481/v4 | ef:flow/255af1a0-2a27-4a81-abef-e240b1a22481/v5 |
| ef:activity/change/20260821T0609040591070000/214280 | unit_iri | ef:agent/unit_normalization | ef:flow/255af1a0-2a27-4a81-abef-e240b1a22481/v5 | ef:flow/255af1a0-2a27-4a81-abef-e240b1a22481/v6 |
| ef:activity/change/20260821T0609040591070000/221735 | prefLabel | ef:agent/normalize_name_case | ef:flow/255af1a0-2a27-4a81-abef-e240b1a22481/v6 | ef:flow/255af1a0-2a27-4a81-abef-e240b1a22481/v7 |
| ef:activity/change/20260821T0609040591070000/229892 | properties | ef:agent/enrich_references | ef:flow/255af1a0-2a27-4a81-abef-e240b1a22481/v7 | ef:flow/255af1a0-2a27-4a81-abef-e240b1a22481/v8 |
| ef:activity/change/20260821T0609040591070000/229893 | skos_definition | ef:agent/enrich_references | ef:flow/255af1a0-2a27-4a81-abef-e240b1a22481/v8 | ef:flow/255af1a0-2a27-4a81-abef-e240b1a22481/v9 |
| ef:activity/change/20260821T0609040591070000/229894 | references | ef:agent/enrich_references | ef:flow/255af1a0-2a27-4a81-abef-e240b1a22481/v9 | ef:flow/255af1a0-2a27-4a81-abef-e240b1a22481/v10 |
| ef:activity/change/20260821T0609040591070000/249099 | properties | ef:agent/rdkit_pre_consensus | ef:flow/255af1a0-2a27-4a81-abef-e240b1a22481/v10 | ef:flow/255af1a0-2a27-4a81-abef-e240b1a22481/v11 |
| ef:activity/change/20260821T0609040591070000/259550 | altLabel | ef:agent/consensus_match | ef:flow/255af1a0-2a27-4a81-abef-e240b1a22481/v11 | ef:flow/255af1a0-2a27-4a81-abef-e240b1a22481/v12 |
| ef:activity/change/20260821T0609040591070000/259551 | cas_match_labels | ef:agent/consensus_match | ef:flow/255af1a0-2a27-4a81-abef-e240b1a22481/v12 | ef:flow/255af1a0-2a27-4a81-abef-e240b1a22481/v13 |
| ef:activity/change/20260821T0609040591070000/280637 | properties | ef:agent/rdkit_post_consensus | ef:flow/255af1a0-2a27-4a81-abef-e240b1a22481/v13 | ef:flow/255af1a0-2a27-4a81-abef-e240b1a22481/v14 |
| ef:activity/change/20260821T0609040591070000/292123 | altLabel | ef:agent/dedupe_altlabels | ef:flow/255af1a0-2a27-4a81-abef-e240b1a22481/v14 | ef:flow/255af1a0-2a27-4a81-abef-e240b1a22481/v15 |
| ef:activity/change/20260821T0609040591070000/311681 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/255af1a0-2a27-4a81-abef-e240b1a22481/v15 | ef:flow/255af1a0-2a27-4a81-abef-e240b1a22481/v16 |
| ef:activity/change/20260821T0609040591070000/388504 | properties | ef:agent/normalise_property_values | ef:flow/255af1a0-2a27-4a81-abef-e240b1a22481/v16 | ef:flow/255af1a0-2a27-4a81-abef-e240b1a22481/v17 |
| ef:activity/change/20260821T0609040591070000/395266 | types | ef:agent/link_flows_to_their_substance | ef:flow/255af1a0-2a27-4a81-abef-e240b1a22481/v17 | ef:flow/255af1a0-2a27-4a81-abef-e240b1a22481/v18 |