Malonic Acid
Everything that changed this flow. Back to the flow
0d4bc05c-84fa-46be-9c57-602749f7f759
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 1 catalogue altLabel value(s): 'NSC 8124' (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=malonicacid||dimension=Environmental > media=Ground > geography=Non-agricultural; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'141-82-2': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-e28372cdaf984da3: {'141-82-2': '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 soil > Emissions to non-agricultural soil |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to non-agricultural soil |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['141-82-2']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_30794']; candidate_pubchem_cids=[867, 9084, 23511544]; selected_pubchem_cids=[867]; 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 |
|---|---|---|---|---|---|
| 11,464 | bootstrap_labels | prefLabel | — | [{"@value":"malonic acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"c… | Bootstrapped prefLabel from legacy name field |
| 11,465 | bootstrap_labels | name | malonic acid | — | Purged legacy name field to enforce prefLabel usage |
| 11,466 | bootstrap_labels | synonyms | ["1,3-Propanedioic acid","1o4m","2fah","AB1002737","AC1L1A7E","AC1Q28JU","AC1Q74U3","AKOS000119034","Carboxyacetic acid… | [] | Removed legacy synonyms field in favor of structured labels |
| 44,300 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Ground","geography":"Non-agricultural"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to non-agricultural soil |
| 44,301 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-grou-noag | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to non-agricultural soil |
| 217,140 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 223,768 | normalize_name_case | prefLabel | [{"@value":"malonic acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"c… | [{"@value":"Malonic 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) |
| 238,085 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H4O4"],"… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 238,086 | enrich_references | skos_definition | — | [{"@value":"An α,ω-dicarboxylic acid in which the two carboxy groups are separated by a single methylene group.","@lang… | Merged ChEBI/PubChem definitions into skos:definition |
| 238,087 | enrich_references | references | [] | [{"@id":"gmelin:2550","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedTo":"conse… | Added references with provenance; cas_numbers=['141-82-2']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_30794']; candidate_pubchem_cids=[867, 9084, 23511544]; selected_pubchem_cids=[867]; 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 |
| 251,450 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H4O4"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H4O4"],"… | rdkit_pre_consensus from 'C(C(=O)O)C(=O)O'; added: monoisotopic_mass |
| 255,971 | chebi_altlabels | altLabel | [] | [{"@value":"H2malo","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consensu… | Added 4 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 268,512 | consensus_match | altLabel | [{"@value":"H2malo","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consensu… | [{"@value":"H2malo","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consensu… | group_key=malonicacid||dimension=Environmental > media=Ground > geography=Non-agricultural; cas=141-82-2; added Common Chemistry CAS names as altLabel: 1,3-Propanedioic acid, Carboxyacetic acid, Dicarboxymethane, Malonates, MeSH ID: D008314, Methanedicarboxylic acid, NSC 8124; object_uuid=fo-e28372cdaf984da3 |
| 268,513 | consensus_match | cas_match_labels | — | {"141-82-2":"exactMatch"} | group_key=malonicacid||dimension=Environmental > media=Ground > geography=Non-agricultural; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'141-82-2': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-e28372cdaf984da3: {'141-82-2': 'exactMatch'} |
| 276,628 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H4O4"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H4O4"],"… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Malonic Acid' |
| 283,253 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H4O4"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H4O4"],"… | rdkit_post_consensus from 'O=C(O)CC(=O)O'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 289,620 | strip_catalogue_altlabels | altLabel | [{"@value":"H2malo","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consensu… | [{"@value":"H2malo","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consensu… | Removed 1 catalogue altLabel value(s): 'NSC 8124' (registry code) |
| 303,176 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/0d4bc05c-84fa-… | associations resolved on the elementary layer |
| 390,985 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H4O4"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H4O4"],"… | typed the way the ontology types it |
| 398,835 | 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/20260822T0600486828500000/11464 | prefLabel | ef:agent/bootstrap_labels | ef:flow/0d4bc05c-84fa-46be-9c57-602749f7f759/v0 | ef:flow/0d4bc05c-84fa-46be-9c57-602749f7f759/v1 |
| ef:activity/change/20260822T0600486828500000/11465 | name | ef:agent/bootstrap_labels | ef:flow/0d4bc05c-84fa-46be-9c57-602749f7f759/v1 | ef:flow/0d4bc05c-84fa-46be-9c57-602749f7f759/v2 |
| ef:activity/change/20260822T0600486828500000/11466 | synonyms | ef:agent/bootstrap_labels | ef:flow/0d4bc05c-84fa-46be-9c57-602749f7f759/v2 | ef:flow/0d4bc05c-84fa-46be-9c57-602749f7f759/v3 |
| ef:activity/change/20260822T0600486828500000/44300 | context | ef:agent/default_context_mapping | ef:flow/0d4bc05c-84fa-46be-9c57-602749f7f759/v3 | ef:flow/0d4bc05c-84fa-46be-9c57-602749f7f759/v4 |
| ef:activity/change/20260822T0600486828500000/44301 | context_iri | ef:agent/default_context_mapping | ef:flow/0d4bc05c-84fa-46be-9c57-602749f7f759/v4 | ef:flow/0d4bc05c-84fa-46be-9c57-602749f7f759/v5 |
| ef:activity/change/20260822T0600486828500000/217140 | unit_iri | ef:agent/unit_normalization | ef:flow/0d4bc05c-84fa-46be-9c57-602749f7f759/v5 | ef:flow/0d4bc05c-84fa-46be-9c57-602749f7f759/v6 |
| ef:activity/change/20260822T0600486828500000/223768 | prefLabel | ef:agent/normalize_name_case | ef:flow/0d4bc05c-84fa-46be-9c57-602749f7f759/v6 | ef:flow/0d4bc05c-84fa-46be-9c57-602749f7f759/v7 |
| ef:activity/change/20260822T0600486828500000/238085 | properties | ef:agent/enrich_references | ef:flow/0d4bc05c-84fa-46be-9c57-602749f7f759/v7 | ef:flow/0d4bc05c-84fa-46be-9c57-602749f7f759/v8 |
| ef:activity/change/20260822T0600486828500000/238086 | skos_definition | ef:agent/enrich_references | ef:flow/0d4bc05c-84fa-46be-9c57-602749f7f759/v8 | ef:flow/0d4bc05c-84fa-46be-9c57-602749f7f759/v9 |
| ef:activity/change/20260822T0600486828500000/238087 | references | ef:agent/enrich_references | ef:flow/0d4bc05c-84fa-46be-9c57-602749f7f759/v9 | ef:flow/0d4bc05c-84fa-46be-9c57-602749f7f759/v10 |
| ef:activity/change/20260822T0600486828500000/251450 | properties | ef:agent/rdkit_pre_consensus | ef:flow/0d4bc05c-84fa-46be-9c57-602749f7f759/v10 | ef:flow/0d4bc05c-84fa-46be-9c57-602749f7f759/v11 |
| ef:activity/change/20260822T0600486828500000/255971 | altLabel | ef:agent/chebi_altlabels | ef:flow/0d4bc05c-84fa-46be-9c57-602749f7f759/v11 | ef:flow/0d4bc05c-84fa-46be-9c57-602749f7f759/v12 |
| ef:activity/change/20260822T0600486828500000/268512 | altLabel | ef:agent/consensus_match | ef:flow/0d4bc05c-84fa-46be-9c57-602749f7f759/v12 | ef:flow/0d4bc05c-84fa-46be-9c57-602749f7f759/v13 |
| ef:activity/change/20260822T0600486828500000/268513 | cas_match_labels | ef:agent/consensus_match | ef:flow/0d4bc05c-84fa-46be-9c57-602749f7f759/v13 | ef:flow/0d4bc05c-84fa-46be-9c57-602749f7f759/v14 |
| ef:activity/change/20260822T0600486828500000/276628 | properties | ef:agent/opsin_iupac | ef:flow/0d4bc05c-84fa-46be-9c57-602749f7f759/v14 | ef:flow/0d4bc05c-84fa-46be-9c57-602749f7f759/v15 |
| ef:activity/change/20260822T0600486828500000/283253 | properties | ef:agent/rdkit_post_consensus | ef:flow/0d4bc05c-84fa-46be-9c57-602749f7f759/v15 | ef:flow/0d4bc05c-84fa-46be-9c57-602749f7f759/v16 |
| ef:activity/change/20260822T0600486828500000/289620 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/0d4bc05c-84fa-46be-9c57-602749f7f759/v16 | ef:flow/0d4bc05c-84fa-46be-9c57-602749f7f759/v17 |
| ef:activity/change/20260822T0600486828500000/303176 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/0d4bc05c-84fa-46be-9c57-602749f7f759/v17 | ef:flow/0d4bc05c-84fa-46be-9c57-602749f7f759/v18 |
| ef:activity/change/20260822T0600486828500000/390985 | properties | ef:agent/normalise_property_values | ef:flow/0d4bc05c-84fa-46be-9c57-602749f7f759/v18 | ef:flow/0d4bc05c-84fa-46be-9c57-602749f7f759/v19 |
| ef:activity/change/20260822T0600486828500000/398835 | types | ef:agent/link_flows_to_their_substance | ef:flow/0d4bc05c-84fa-46be-9c57-602749f7f759/v19 | ef:flow/0d4bc05c-84fa-46be-9c57-602749f7f759/v20 |