Fumaric Acid
Everything that changed this flow. Back to the flow
03b34a6e-d86d-4a87-a235-4714f70ff684
By field
13 fields| Field | Changes | Written by | Latest note |
|---|---|---|---|
| properties | 6 | enrich_references, link_flows_to_their_substance, normalise_property_values, opsin_iupac, rdkit_post_consensus, rdkit_pre_consensus | the substance's answer, copied onto its flow |
| altLabel | 3 | chebi_altlabels, consensus_match, strip_catalogue_altlabels | Removed 5 catalogue altLabel value(s): 'Bakeshure 451' (trade name), 'Bakeshure 470' (trade name), 'FC 33' (grade code), 'FC 33 (acid)' (grade code), 'NSC 2752' (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=fumaricacid||dimension=Environmental > media=Air > strata=Long-term; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'110-17-8': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-ffe6cfba2e633e3f: {'110-17-8': '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, unspecified (long-term) |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, 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=['110-17-8']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_18012']; candidate_pubchem_cids=[723, 15879, 444266, 444972, 5460307, 9849808, 21883788, 25195495, 53399155, 87057741, 160930999]; selected_pubchem_cids=[444972]; 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
21| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 2,982 | bootstrap_labels | prefLabel | — | [{"@value":"fumaric acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"c… | Bootstrapped prefLabel from legacy name field |
| 2,983 | bootstrap_labels | name | fumaric acid | — | Purged legacy name field to enforce prefLabel usage |
| 2,984 | bootstrap_labels | synonyms | ["(2E)-2-butenedioic acid","(2E)-but-2-enedioic acid","(E)-2-Butenedioic acid","(E)-but-2-enedioic acid","1,2-Ethenedic… | [] | Removed legacy synonyms field in favor of structured labels |
| 28,046 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Long-term"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified (long-term) |
| 28,047 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-lote | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified (long-term) |
| 214,334 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 221,770 | normalize_name_case | prefLabel | [{"@value":"fumaric acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"c… | [{"@value":"Fumaric 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) |
| 230,045 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H4O4"],"… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 230,046 | enrich_references | skos_definition | — | [{"@value":"A butenedioic acid in which the C=C double bond has E geometry. It is an intermediate metabolite in the cit… | Merged ChEBI/PubChem definitions into skos:definition |
| 230,047 | enrich_references | references | [] | [{"@id":"drugcentral:3229","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedTo":"… | Added references with provenance; cas_numbers=['110-17-8']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_18012']; candidate_pubchem_cids=[723, 15879, 444266, 444972, 5460307, 9849808, 21883788, 25195495, 53399155, 87057741, 160930999]; selected_pubchem_cids=[444972]; 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 |
| 249,143 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H4O4"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H4O4"],"… | rdkit_pre_consensus from 'C(=C/C(=O)O)\\C(=O)O'; added: monoisotopic_mass |
| 254,716 | chebi_altlabels | altLabel | [] | [{"@value":"(2E)-2-butenedioic acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttrib… | Added 9 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 267,320 | consensus_match | altLabel | [{"@value":"(2E)-2-butenedioic acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttrib… | [{"@value":"(2E)-2-butenedioic acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttrib… | group_key=fumaricacid||dimension=Environmental > media=Air > strata=Long-term; cas=110-17-8; added Common Chemistry CAS names as altLabel: 2-(E)-Butenedioic acid, 2-Butenedioic acid (2<em>E</em>)-, 2-Butenedioic acid (<em>E</em>)-, 2-Butenedioic acid, (<em>E</em>)-, <em>trans</em>-2-Butenedioic acid, Allomaleic acid, Bakeshure 451, Bakeshure 470, Boletic acid, FC 33, FC 33 (acid), Fumarates, Lichenic acid, MeSH ID: D005650, NSC 2752, Petrom; object_uuid=fo-ffe6cfba2e633e3f |
| 267,321 | consensus_match | cas_match_labels | — | {"110-17-8":"exactMatch"} | group_key=fumaricacid||dimension=Environmental > media=Air > strata=Long-term; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'110-17-8': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-ffe6cfba2e633e3f: {'110-17-8': 'exactMatch'} |
| 274,259 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H4O4"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H4O4"],"… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Fumaric Acid' |
| 280,688 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H4O4"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H4O4"],"… | rdkit_post_consensus from 'O=C(O)/C=C/C(=O)O'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 287,839 | strip_catalogue_altlabels | altLabel | [{"@value":"(2E)-2-butenedioic acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttrib… | [{"@value":"(2E)-2-butenedioic acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttrib… | Removed 5 catalogue altLabel value(s): 'Bakeshure 451' (trade name), 'Bakeshure 470' (trade name), 'FC 33' (grade code), 'FC 33 (acid)' (grade code), 'NSC 2752' (registry code) |
| 295,067 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/03b34a6e-d86d-… | associations resolved on the elementary layer |
| 388,555 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H4O4"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H4O4"],"… | typed the way the ontology types it |
| 395,340 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
| 395,341 | link_flows_to_their_substance | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H4O4"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H4O4"],"… | the substance's answer, copied onto its flow |
PROV-O trail
21 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/20260822T0600486828500000/2982 | prefLabel | ef:agent/bootstrap_labels | ef:flow/03b34a6e-d86d-4a87-a235-4714f70ff684/v0 | ef:flow/03b34a6e-d86d-4a87-a235-4714f70ff684/v1 |
| ef:activity/change/20260822T0600486828500000/2983 | name | ef:agent/bootstrap_labels | ef:flow/03b34a6e-d86d-4a87-a235-4714f70ff684/v1 | ef:flow/03b34a6e-d86d-4a87-a235-4714f70ff684/v2 |
| ef:activity/change/20260822T0600486828500000/2984 | synonyms | ef:agent/bootstrap_labels | ef:flow/03b34a6e-d86d-4a87-a235-4714f70ff684/v2 | ef:flow/03b34a6e-d86d-4a87-a235-4714f70ff684/v3 |
| ef:activity/change/20260822T0600486828500000/28046 | context | ef:agent/default_context_mapping | ef:flow/03b34a6e-d86d-4a87-a235-4714f70ff684/v3 | ef:flow/03b34a6e-d86d-4a87-a235-4714f70ff684/v4 |
| ef:activity/change/20260822T0600486828500000/28047 | context_iri | ef:agent/default_context_mapping | ef:flow/03b34a6e-d86d-4a87-a235-4714f70ff684/v4 | ef:flow/03b34a6e-d86d-4a87-a235-4714f70ff684/v5 |
| ef:activity/change/20260822T0600486828500000/214334 | unit_iri | ef:agent/unit_normalization | ef:flow/03b34a6e-d86d-4a87-a235-4714f70ff684/v5 | ef:flow/03b34a6e-d86d-4a87-a235-4714f70ff684/v6 |
| ef:activity/change/20260822T0600486828500000/221770 | prefLabel | ef:agent/normalize_name_case | ef:flow/03b34a6e-d86d-4a87-a235-4714f70ff684/v6 | ef:flow/03b34a6e-d86d-4a87-a235-4714f70ff684/v7 |
| ef:activity/change/20260822T0600486828500000/230045 | properties | ef:agent/enrich_references | ef:flow/03b34a6e-d86d-4a87-a235-4714f70ff684/v7 | ef:flow/03b34a6e-d86d-4a87-a235-4714f70ff684/v8 |
| ef:activity/change/20260822T0600486828500000/230046 | skos_definition | ef:agent/enrich_references | ef:flow/03b34a6e-d86d-4a87-a235-4714f70ff684/v8 | ef:flow/03b34a6e-d86d-4a87-a235-4714f70ff684/v9 |
| ef:activity/change/20260822T0600486828500000/230047 | references | ef:agent/enrich_references | ef:flow/03b34a6e-d86d-4a87-a235-4714f70ff684/v9 | ef:flow/03b34a6e-d86d-4a87-a235-4714f70ff684/v10 |
| ef:activity/change/20260822T0600486828500000/249143 | properties | ef:agent/rdkit_pre_consensus | ef:flow/03b34a6e-d86d-4a87-a235-4714f70ff684/v10 | ef:flow/03b34a6e-d86d-4a87-a235-4714f70ff684/v11 |
| ef:activity/change/20260822T0600486828500000/254716 | altLabel | ef:agent/chebi_altlabels | ef:flow/03b34a6e-d86d-4a87-a235-4714f70ff684/v11 | ef:flow/03b34a6e-d86d-4a87-a235-4714f70ff684/v12 |
| ef:activity/change/20260822T0600486828500000/267320 | altLabel | ef:agent/consensus_match | ef:flow/03b34a6e-d86d-4a87-a235-4714f70ff684/v12 | ef:flow/03b34a6e-d86d-4a87-a235-4714f70ff684/v13 |
| ef:activity/change/20260822T0600486828500000/267321 | cas_match_labels | ef:agent/consensus_match | ef:flow/03b34a6e-d86d-4a87-a235-4714f70ff684/v13 | ef:flow/03b34a6e-d86d-4a87-a235-4714f70ff684/v14 |
| ef:activity/change/20260822T0600486828500000/274259 | properties | ef:agent/opsin_iupac | ef:flow/03b34a6e-d86d-4a87-a235-4714f70ff684/v14 | ef:flow/03b34a6e-d86d-4a87-a235-4714f70ff684/v15 |
| ef:activity/change/20260822T0600486828500000/280688 | properties | ef:agent/rdkit_post_consensus | ef:flow/03b34a6e-d86d-4a87-a235-4714f70ff684/v15 | ef:flow/03b34a6e-d86d-4a87-a235-4714f70ff684/v16 |
| ef:activity/change/20260822T0600486828500000/287839 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/03b34a6e-d86d-4a87-a235-4714f70ff684/v16 | ef:flow/03b34a6e-d86d-4a87-a235-4714f70ff684/v17 |
| ef:activity/change/20260822T0600486828500000/295067 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/03b34a6e-d86d-4a87-a235-4714f70ff684/v17 | ef:flow/03b34a6e-d86d-4a87-a235-4714f70ff684/v18 |
| ef:activity/change/20260822T0600486828500000/388555 | properties | ef:agent/normalise_property_values | ef:flow/03b34a6e-d86d-4a87-a235-4714f70ff684/v18 | ef:flow/03b34a6e-d86d-4a87-a235-4714f70ff684/v19 |
| ef:activity/change/20260822T0600486828500000/395340 | types | ef:agent/link_flows_to_their_substance | ef:flow/03b34a6e-d86d-4a87-a235-4714f70ff684/v19 | ef:flow/03b34a6e-d86d-4a87-a235-4714f70ff684/v20 |
| ef:activity/change/20260822T0600486828500000/395341 | properties | ef:agent/link_flows_to_their_substance | ef:flow/03b34a6e-d86d-4a87-a235-4714f70ff684/v20 | ef:flow/03b34a6e-d86d-4a87-a235-4714f70ff684/v21 |