Dihydrogen Sodium Citrate
Everything that changed this flow. Back to the flow
ebbdf7b5-0814-4254-a5cc-e15b98f00bdd
By field
13 fields| Field | Changes | Written by | Latest note |
|---|---|---|---|
| properties | 5 | enrich_references, opsin_iupac, rdkit_post_consensus, rdkit_pre_consensus, withhold_ambiguous_mass | withhold_ambiguous_mass: removed molecular_mass, monoisotopic_mass; the flow carries 2 candidate structures, so no one mass describes it |
| altLabel | 2 | consensus_match, strip_catalogue_altlabels | Removed 1 catalogue altLabel value(s): 'E 331i' (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=dihydrogensodiumcitrate||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory']; cas_sources={'18996-35-5': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-c070c8b643cd1d7f: {'18996-35-5': '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 (long-term) |
| 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 (long-term) |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['18996-35-5']; matched_chebi_ids=[]; candidate_pubchem_cids=[6335613, 21226068, 21982747, 23662352, 23666341, 131675399]; selected_pubchem_cids=[6335613]; 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
19| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 19,018 | bootstrap_labels | prefLabel | — | [{"@value":"dihydrogen sodium citrate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAtt… | Bootstrapped prefLabel from legacy name field |
| 19,019 | bootstrap_labels | name | dihydrogen sodium citrate | — | Purged legacy name field to enforce prefLabel usage |
| 19,020 | bootstrap_labels | synonyms | ["sodiumdihydrogencitrate","sodiumdihydrogencitrate(monosodiumcitrateanhydrous)","dihydrogensodiumcitrate","monosodiumc… | [] | Removed legacy synonyms field in favor of structured labels |
| 190,838 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Long-term"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified (long-term) |
| 190,839 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-lote | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified (long-term) |
| 219,541 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 225,421 | normalize_name_case | prefLabel | [{"@value":"dihydrogen sodium citrate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAtt… | [{"@value":"Dihydrogen Sodium Citrate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAtt… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 244,892 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H8NaO7"]… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 244,893 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 244,894 | enrich_references | references | [] | [{"@id":"https://chem.echa.europa.eu/100.012.380","provenance":{"prov:wasGeneratedBy":"enrich_references.pubchem_identi… | Added references with provenance; cas_numbers=['18996-35-5']; matched_chebi_ids=[]; candidate_pubchem_cids=[6335613, 21226068, 21982747, 23662352, 23666341, 131675399]; selected_pubchem_cids=[6335613]; 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 |
| 253,420 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H8NaO7"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H8NaO7"]… | rdkit_pre_consensus from 'C(C(=O)O)C(CC(=O)O)(C(=O)O)O.[Na]'; added: molecular_mass, monoisotopic_mass |
| 265,984 | consensus_match | altLabel | [] | [{"@value":"1,2,3-Propanetricarboxylic acid, 2-hydroxy-, monosodium salt","@language":"en","source":{"prov:wasGenerated… | group_key=dihydrogensodiumcitrate||dimension=Environmental > media=Water > water_body=Unknown; cas=18996-35-5; added Common Chemistry CAS names as altLabel: 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, monosodium salt, 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, sodium salt (1:1), Citric acid, monosodium salt, Citrofluyl, E 331i, Monosodium citrate, Monosodium dihydrogen citrate, Sodium citrate (NaC<sub>6</sub>H<sub>7</sub>O<sub>7</sub>), Sodium dihydrogen citrate; object_uuid=fo-c070c8b643cd1d7f |
| 265,985 | consensus_match | cas_match_labels | — | {"18996-35-5":"exactMatch"} | group_key=dihydrogensodiumcitrate||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory']; cas_sources={'18996-35-5': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-c070c8b643cd1d7f: {'18996-35-5': 'exactMatch'} |
| 278,631 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H8NaO7"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H8NaO7"]… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '1,2,3-Propanetricarboxylic acid, 2-hydroxy-, monosodium salt' |
| 285,409 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H8NaO7"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H7NaO7",… | rdkit_post_consensus from 'O=C([O-])CC(O)(CC(=O)O)C(=O)O.[Na+]'; added: inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass; confirmed: smiles_string, inchi2d_string |
| 287,143 | withhold_ambiguous_mass | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H7NaO7",… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H7NaO7",… | withhold_ambiguous_mass: removed molecular_mass, monoisotopic_mass; the flow carries 2 candidate structures, so no one mass describes it |
| 291,079 | strip_catalogue_altlabels | altLabel | [{"@value":"1,2,3-Propanetricarboxylic acid, 2-hydroxy-, monosodium salt","@language":"en","source":{"prov:wasGenerated… | [{"@value":"1,2,3-Propanetricarboxylic acid, 2-hydroxy-, monosodium salt","@language":"en","source":{"prov:wasGenerated… | Removed 1 catalogue altLabel value(s): 'E 331i' (grade code) |
| 376,449 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/ebbdf7b5-0814-… | associations resolved on the elementary layer |
| 401,739 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/ChemicalSalt"] | the substance's answer, copied onto its flow |
PROV-O trail
19 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/20260822T0600486828500000/19018 | prefLabel | ef:agent/bootstrap_labels | ef:flow/ebbdf7b5-0814-4254-a5cc-e15b98f00bdd/v0 | ef:flow/ebbdf7b5-0814-4254-a5cc-e15b98f00bdd/v1 |
| ef:activity/change/20260822T0600486828500000/19019 | name | ef:agent/bootstrap_labels | ef:flow/ebbdf7b5-0814-4254-a5cc-e15b98f00bdd/v1 | ef:flow/ebbdf7b5-0814-4254-a5cc-e15b98f00bdd/v2 |
| ef:activity/change/20260822T0600486828500000/19020 | synonyms | ef:agent/bootstrap_labels | ef:flow/ebbdf7b5-0814-4254-a5cc-e15b98f00bdd/v2 | ef:flow/ebbdf7b5-0814-4254-a5cc-e15b98f00bdd/v3 |
| ef:activity/change/20260822T0600486828500000/190838 | context | ef:agent/default_context_mapping | ef:flow/ebbdf7b5-0814-4254-a5cc-e15b98f00bdd/v3 | ef:flow/ebbdf7b5-0814-4254-a5cc-e15b98f00bdd/v4 |
| ef:activity/change/20260822T0600486828500000/190839 | context_iri | ef:agent/default_context_mapping | ef:flow/ebbdf7b5-0814-4254-a5cc-e15b98f00bdd/v4 | ef:flow/ebbdf7b5-0814-4254-a5cc-e15b98f00bdd/v5 |
| ef:activity/change/20260822T0600486828500000/219541 | unit_iri | ef:agent/unit_normalization | ef:flow/ebbdf7b5-0814-4254-a5cc-e15b98f00bdd/v5 | ef:flow/ebbdf7b5-0814-4254-a5cc-e15b98f00bdd/v6 |
| ef:activity/change/20260822T0600486828500000/225421 | prefLabel | ef:agent/normalize_name_case | ef:flow/ebbdf7b5-0814-4254-a5cc-e15b98f00bdd/v6 | ef:flow/ebbdf7b5-0814-4254-a5cc-e15b98f00bdd/v7 |
| ef:activity/change/20260822T0600486828500000/244892 | properties | ef:agent/enrich_references | ef:flow/ebbdf7b5-0814-4254-a5cc-e15b98f00bdd/v7 | ef:flow/ebbdf7b5-0814-4254-a5cc-e15b98f00bdd/v8 |
| ef:activity/change/20260822T0600486828500000/244893 | skos_definition | ef:agent/enrich_references | ef:flow/ebbdf7b5-0814-4254-a5cc-e15b98f00bdd/v8 | ef:flow/ebbdf7b5-0814-4254-a5cc-e15b98f00bdd/v9 |
| ef:activity/change/20260822T0600486828500000/244894 | references | ef:agent/enrich_references | ef:flow/ebbdf7b5-0814-4254-a5cc-e15b98f00bdd/v9 | ef:flow/ebbdf7b5-0814-4254-a5cc-e15b98f00bdd/v10 |
| ef:activity/change/20260822T0600486828500000/253420 | properties | ef:agent/rdkit_pre_consensus | ef:flow/ebbdf7b5-0814-4254-a5cc-e15b98f00bdd/v10 | ef:flow/ebbdf7b5-0814-4254-a5cc-e15b98f00bdd/v11 |
| ef:activity/change/20260822T0600486828500000/265984 | altLabel | ef:agent/consensus_match | ef:flow/ebbdf7b5-0814-4254-a5cc-e15b98f00bdd/v11 | ef:flow/ebbdf7b5-0814-4254-a5cc-e15b98f00bdd/v12 |
| ef:activity/change/20260822T0600486828500000/265985 | cas_match_labels | ef:agent/consensus_match | ef:flow/ebbdf7b5-0814-4254-a5cc-e15b98f00bdd/v12 | ef:flow/ebbdf7b5-0814-4254-a5cc-e15b98f00bdd/v13 |
| ef:activity/change/20260822T0600486828500000/278631 | properties | ef:agent/opsin_iupac | ef:flow/ebbdf7b5-0814-4254-a5cc-e15b98f00bdd/v13 | ef:flow/ebbdf7b5-0814-4254-a5cc-e15b98f00bdd/v14 |
| ef:activity/change/20260822T0600486828500000/285409 | properties | ef:agent/rdkit_post_consensus | ef:flow/ebbdf7b5-0814-4254-a5cc-e15b98f00bdd/v14 | ef:flow/ebbdf7b5-0814-4254-a5cc-e15b98f00bdd/v15 |
| ef:activity/change/20260822T0600486828500000/287143 | properties | ef:agent/withhold_ambiguous_mass | ef:flow/ebbdf7b5-0814-4254-a5cc-e15b98f00bdd/v15 | ef:flow/ebbdf7b5-0814-4254-a5cc-e15b98f00bdd/v16 |
| ef:activity/change/20260822T0600486828500000/291079 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/ebbdf7b5-0814-4254-a5cc-e15b98f00bdd/v16 | ef:flow/ebbdf7b5-0814-4254-a5cc-e15b98f00bdd/v17 |
| ef:activity/change/20260822T0600486828500000/376449 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/ebbdf7b5-0814-4254-a5cc-e15b98f00bdd/v17 | ef:flow/ebbdf7b5-0814-4254-a5cc-e15b98f00bdd/v18 |
| ef:activity/change/20260822T0600486828500000/401739 | types | ef:agent/link_flows_to_their_substance | ef:flow/ebbdf7b5-0814-4254-a5cc-e15b98f00bdd/v18 | ef:flow/ebbdf7b5-0814-4254-a5cc-e15b98f00bdd/v19 |