Trimagnesium Dicitrate
Everything that changed this flow. Back to the flow
c1be01e4-e423-43a9-a671-c56cf14d33ed
By field
13 fields| Field | Changes | Written by | Latest note |
|---|---|---|---|
| properties | 4 | enrich_references, normalise_property_values, opsin_iupac, rdkit_post_consensus | typed the way the ontology types it |
| altLabel | 2 | chebi_altlabels, consensus_match | group_key=trimagnesiumdicitrate||dimension=Environmental > media=Water > water_body=Unknown; cas=3344-18-1; added Common Chemistry CAS names as altLabel: 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, magnesium salt (2:3), Citramag, Citric acid, magnesium salt (2:3), Hexaaquomagnesium bis[(citrato)aquomagnesate]; object_uuid=fo-c3f392cfedfd1fd4 |
| 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=trimagnesiumdicitrate||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['chebi', 'ec_inventory']; cas_sources={'3344-18-1': ['chebi', 'ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-c3f392cfedfd1fd4: {'3344-18-1': '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 sea water |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to sea water |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['3344-18-1']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_131391']; candidate_pubchem_cids=[3693607, 6099959, 6335619, 10242446, 20835962, 53249332, 121233732]; selected_pubchem_cids=[6099959]; 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 |
|---|---|---|---|---|---|
| 4,807 | bootstrap_labels | prefLabel | — | [{"@value":"trimagnesium dicitrate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttrib… | Bootstrapped prefLabel from legacy name field |
| 4,808 | bootstrap_labels | name | trimagnesium dicitrate | — | Purged legacy name field to enforce prefLabel usage |
| 4,809 | bootstrap_labels | synonyms | ["trimagnesiumdicitrate","trimagnesiumcitrate","trimagnesium(2+)ionbis(2-hydroxypropane-1,2,3-tricarboxylate)","trimagn… | [] | Removed legacy synonyms field in favor of structured labels |
| 164,566 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Ocean"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to sea water |
| 164,567 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-ocea | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to sea water |
| 214,945 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 222,200 | normalize_name_case | prefLabel | [{"@value":"trimagnesium dicitrate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttrib… | [{"@value":"Trimagnesium Dicitrate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttrib… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 231,802 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["2C6H5O7.3M… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 231,803 | enrich_references | skos_definition | — | [{"@value":"A magnesium salt composed of magnesium and citrate ions in a 3:2 ratio.","@language":"en","provenance":{"pr… | Merged ChEBI/PubChem definitions into skos:definition |
| 231,804 | enrich_references | references | [] | [{"@id":"https://chem.echa.europa.eu/100.020.086","provenance":{"prov:wasGeneratedBy":"enrich_references.pubchem_identi… | Added references with provenance; cas_numbers=['3344-18-1']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_131391']; candidate_pubchem_cids=[3693607, 6099959, 6335619, 10242446, 20835962, 53249332, 121233732]; selected_pubchem_cids=[6099959]; 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 |
| 254,988 | chebi_altlabels | altLabel | [] | [{"@value":"Magnesium citrate","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo… | Added 4 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 272,967 | consensus_match | altLabel | [{"@value":"Magnesium citrate","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo… | [{"@value":"Magnesium citrate","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo… | group_key=trimagnesiumdicitrate||dimension=Environmental > media=Water > water_body=Unknown; cas=3344-18-1; added Common Chemistry CAS names as altLabel: 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, magnesium salt (2:3), Citramag, Citric acid, magnesium salt (2:3), Hexaaquomagnesium bis[(citrato)aquomagnesate]; object_uuid=fo-c3f392cfedfd1fd4 |
| 272,968 | consensus_match | cas_match_labels | — | {"3344-18-1":"exactMatch"} | group_key=trimagnesiumdicitrate||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['chebi', 'ec_inventory']; cas_sources={'3344-18-1': ['chebi', 'ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-c3f392cfedfd1fd4: {'3344-18-1': 'exactMatch'} |
| 274,776 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["2C6H5O7.3M… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["2C6H5O7.3M… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Trimagnesium Dicitrate' |
| 281,246 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["2C6H5O7.3M… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["2C6H5O7.3M… | rdkit_post_consensus from 'O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].[Mg+2].[Mg+2].[Mg+2]'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 363,309 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/c1be01e4-e423-… | associations resolved on the elementary layer |
| 389,087 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["2C6H5O7.3M… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["2C6H5O7.3M… | typed the way the ontology types it |
| 396,093 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/ChemicalSalt"] | 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/20260821T1302361922970000/4807 | prefLabel | ef:agent/bootstrap_labels | ef:flow/c1be01e4-e423-43a9-a671-c56cf14d33ed/v0 | ef:flow/c1be01e4-e423-43a9-a671-c56cf14d33ed/v1 |
| ef:activity/change/20260821T1302361922970000/4808 | name | ef:agent/bootstrap_labels | ef:flow/c1be01e4-e423-43a9-a671-c56cf14d33ed/v1 | ef:flow/c1be01e4-e423-43a9-a671-c56cf14d33ed/v2 |
| ef:activity/change/20260821T1302361922970000/4809 | synonyms | ef:agent/bootstrap_labels | ef:flow/c1be01e4-e423-43a9-a671-c56cf14d33ed/v2 | ef:flow/c1be01e4-e423-43a9-a671-c56cf14d33ed/v3 |
| ef:activity/change/20260821T1302361922970000/164566 | context | ef:agent/default_context_mapping | ef:flow/c1be01e4-e423-43a9-a671-c56cf14d33ed/v3 | ef:flow/c1be01e4-e423-43a9-a671-c56cf14d33ed/v4 |
| ef:activity/change/20260821T1302361922970000/164567 | context_iri | ef:agent/default_context_mapping | ef:flow/c1be01e4-e423-43a9-a671-c56cf14d33ed/v4 | ef:flow/c1be01e4-e423-43a9-a671-c56cf14d33ed/v5 |
| ef:activity/change/20260821T1302361922970000/214945 | unit_iri | ef:agent/unit_normalization | ef:flow/c1be01e4-e423-43a9-a671-c56cf14d33ed/v5 | ef:flow/c1be01e4-e423-43a9-a671-c56cf14d33ed/v6 |
| ef:activity/change/20260821T1302361922970000/222200 | prefLabel | ef:agent/normalize_name_case | ef:flow/c1be01e4-e423-43a9-a671-c56cf14d33ed/v6 | ef:flow/c1be01e4-e423-43a9-a671-c56cf14d33ed/v7 |
| ef:activity/change/20260821T1302361922970000/231802 | properties | ef:agent/enrich_references | ef:flow/c1be01e4-e423-43a9-a671-c56cf14d33ed/v7 | ef:flow/c1be01e4-e423-43a9-a671-c56cf14d33ed/v8 |
| ef:activity/change/20260821T1302361922970000/231803 | skos_definition | ef:agent/enrich_references | ef:flow/c1be01e4-e423-43a9-a671-c56cf14d33ed/v8 | ef:flow/c1be01e4-e423-43a9-a671-c56cf14d33ed/v9 |
| ef:activity/change/20260821T1302361922970000/231804 | references | ef:agent/enrich_references | ef:flow/c1be01e4-e423-43a9-a671-c56cf14d33ed/v9 | ef:flow/c1be01e4-e423-43a9-a671-c56cf14d33ed/v10 |
| ef:activity/change/20260821T1302361922970000/254988 | altLabel | ef:agent/chebi_altlabels | ef:flow/c1be01e4-e423-43a9-a671-c56cf14d33ed/v10 | ef:flow/c1be01e4-e423-43a9-a671-c56cf14d33ed/v11 |
| ef:activity/change/20260821T1302361922970000/272967 | altLabel | ef:agent/consensus_match | ef:flow/c1be01e4-e423-43a9-a671-c56cf14d33ed/v11 | ef:flow/c1be01e4-e423-43a9-a671-c56cf14d33ed/v12 |
| ef:activity/change/20260821T1302361922970000/272968 | cas_match_labels | ef:agent/consensus_match | ef:flow/c1be01e4-e423-43a9-a671-c56cf14d33ed/v12 | ef:flow/c1be01e4-e423-43a9-a671-c56cf14d33ed/v13 |
| ef:activity/change/20260821T1302361922970000/274776 | properties | ef:agent/opsin_iupac | ef:flow/c1be01e4-e423-43a9-a671-c56cf14d33ed/v13 | ef:flow/c1be01e4-e423-43a9-a671-c56cf14d33ed/v14 |
| ef:activity/change/20260821T1302361922970000/281246 | properties | ef:agent/rdkit_post_consensus | ef:flow/c1be01e4-e423-43a9-a671-c56cf14d33ed/v14 | ef:flow/c1be01e4-e423-43a9-a671-c56cf14d33ed/v15 |
| ef:activity/change/20260821T1302361922970000/363309 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/c1be01e4-e423-43a9-a671-c56cf14d33ed/v15 | ef:flow/c1be01e4-e423-43a9-a671-c56cf14d33ed/v16 |
| ef:activity/change/20260821T1302361922970000/389087 | properties | ef:agent/normalise_property_values | ef:flow/c1be01e4-e423-43a9-a671-c56cf14d33ed/v16 | ef:flow/c1be01e4-e423-43a9-a671-c56cf14d33ed/v17 |
| ef:activity/change/20260821T1302361922970000/396093 | types | ef:agent/link_flows_to_their_substance | ef:flow/c1be01e4-e423-43a9-a671-c56cf14d33ed/v17 | ef:flow/c1be01e4-e423-43a9-a671-c56cf14d33ed/v18 |