Diammonium citrate
Everything that changed this flow. Back to the flow
21a64fb3-700f-466d-a3ef-9d2e0120b044
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 | 4 | chebi_altlabels, consensus_match, dedupe_altlabels | Deduplicated altLabel values and removed entries matching prefLabel |
| prefLabel | 3 | bootstrap_labels, consensus_match, normalize_name_case | cas=3012-65-5; cc_chebi_agreed_name='Diammonium citrate'; object_uuid=fo-1759c87453138c43 |
| cas_match_labels | 1 | consensus_match | group_key=diammoniumhydrogen2-hydroxypropane-1,2,3-tricarboxylate||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'3012-65-5': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-1759c87453138c43: {'3012-65-5': '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 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=['3012-65-5']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_63076']; candidate_pubchem_cids=[18171, 18954, 5284342, 6435836, 13710713, 19966535]; selected_pubchem_cids=[18171]; 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
22| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 1,450 | bootstrap_labels | prefLabel | — | [{"@value":"diammonium hydrogen 2-hydroxypropane-1,2,3-tricarboxylate","@language":"en","source":{"prov:wasGeneratedBy"… | Bootstrapped prefLabel from legacy name field |
| 1,451 | bootstrap_labels | name | diammonium hydrogen 2-hydroxypropane-1,2,3-tricarboxylate | — | Purged legacy name field to enforce prefLabel usage |
| 1,452 | bootstrap_labels | synonyms | ["organic","diammoniumhydrogen2-hydroxypropane-1,2,3-tricarboxylate"] | [] | Removed legacy synonyms field in favor of structured labels |
| 59,121 | 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 |
| 59,122 | 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 |
| 213,822 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 221,427 | normalize_name_case | prefLabel | [{"@value":"diammonium hydrogen 2-hydroxypropane-1,2,3-tricarboxylate","@language":"en","source":{"prov:wasGeneratedBy"… | [{"@value":"Diammonium Hydrogen 2-hydroxypropane-1,2,3-tricarboxylate","@language":"en","source":{"prov:wasGeneratedBy"… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 228,574 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H14N2O7"… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 228,575 | enrich_references | skos_definition | — | [{"@value":"A citrate salt in which two of the three carboxy groups are deprotonated and associated with ammonium ions… | Merged ChEBI/PubChem definitions into skos:definition |
| 228,576 | enrich_references | references | [] | [{"@id":"https://chem.echa.europa.eu/100.019.225","provenance":{"prov:wasGeneratedBy":"enrich_references.pubchem_identi… | Added references with provenance; cas_numbers=['3012-65-5']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_63076']; candidate_pubchem_cids=[18171, 18954, 5284342, 6435836, 13710713, 19966535]; selected_pubchem_cids=[18171]; 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 |
| 248,723 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H14N2O7"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H14N2O7"… | rdkit_pre_consensus from 'C(C(=O)[O-])C(CC(=O)[O-])(C(=O)O)O.[NH4+].[NH4+]'; added: monoisotopic_mass |
| 254,554 | chebi_altlabels | altLabel | [] | [{"@value":"2-Hydroxy-1,2,3-propanetricarboxylic acid, diammonium salt","@language":"en","source":{"prov:wasGeneratedBy… | Added 11 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 265,667 | consensus_match | prefLabel | [{"@value":"Diammonium Hydrogen 2-hydroxypropane-1,2,3-tricarboxylate","@language":"en","source":{"prov:wasGeneratedBy"… | [{"@value":"Diammonium citrate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedT… | cas=3012-65-5; cc_chebi_agreed_name='Diammonium citrate'; object_uuid=fo-1759c87453138c43 |
| 265,668 | consensus_match | altLabel | [{"@value":"2-Hydroxy-1,2,3-propanetricarboxylic acid, diammonium salt","@language":"en","source":{"prov:wasGeneratedBy… | [{"@value":"2-Hydroxy-1,2,3-propanetricarboxylic acid, diammonium salt","@language":"en","source":{"prov:wasGeneratedBy… | cas=3012-65-5; added original name as altLabel after CC/ChEBI rename; object_uuid=fo-1759c87453138c43 |
| 265,669 | consensus_match | altLabel | [{"@value":"2-Hydroxy-1,2,3-propanetricarboxylic acid, diammonium salt","@language":"en","source":{"prov:wasGeneratedBy… | [{"@value":"2-Hydroxy-1,2,3-propanetricarboxylic acid, diammonium salt","@language":"en","source":{"prov:wasGeneratedBy… | group_key=diammoniumhydrogen2-hydroxypropane-1,2,3-tricarboxylate||dimension=Environmental > media=Ground > geography=Unknown; cas=3012-65-5; added Common Chemistry CAS names as altLabel: 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, ammonium salt (1:2), 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, diammonium salt, 2-Hydroxy-1,2,3-propanetricarboxylic acid diammonium salt, AmmCitrate, Ammonium citrate, Ammonium citrate ((NH<sub>4</sub>)<sub>2</sub>O<sub>7</sub>C<sub>6</sub>H<sub>6</sub>), Citrate diammonium hydrogen, Citric acid, diammonium salt; object_uuid=fo-1759c87453138c43 |
| 265,670 | consensus_match | cas_match_labels | — | {"3012-65-5":"exactMatch"} | group_key=diammoniumhydrogen2-hydroxypropane-1,2,3-tricarboxylate||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'3012-65-5': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-1759c87453138c43: {'3012-65-5': 'exactMatch'} |
| 273,845 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H14N2O7"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H14N2O7"… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Diammonium citrate' |
| 280,234 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H14N2O7"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H14N2O7"… | rdkit_post_consensus from 'O=C([O-])CC(O)(CC(=O)[O-])C(=O)O.[NH4+].[NH4+]'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 292,041 | dedupe_altlabels | altLabel | [{"@value":"2-Hydroxy-1,2,3-propanetricarboxylic acid, diammonium salt","@language":"en","source":{"prov:wasGeneratedBy… | [{"@value":"2-Hydroxy-1,2,3-propanetricarboxylic acid, diammonium salt","@language":"en","source":{"prov:wasGeneratedBy… | Deduplicated altLabel values and removed entries matching prefLabel |
| 310,621 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/21a64fb3-700f-… | associations resolved on the elementary layer |
| 388,156 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H14N2O7"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H14N2O7"… | typed the way the ontology types it |
| 394,765 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/ChemicalSalt"] | the substance's answer, copied onto its flow |
PROV-O trail
22 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/20260920T1042228874600000/1450 | prefLabel | ef:agent/bootstrap_labels | ef:flow/21a64fb3-700f-466d-a3ef-9d2e0120b044/v0 | ef:flow/21a64fb3-700f-466d-a3ef-9d2e0120b044/v1 |
| ef:activity/change/20260920T1042228874600000/1451 | name | ef:agent/bootstrap_labels | ef:flow/21a64fb3-700f-466d-a3ef-9d2e0120b044/v1 | ef:flow/21a64fb3-700f-466d-a3ef-9d2e0120b044/v2 |
| ef:activity/change/20260920T1042228874600000/1452 | synonyms | ef:agent/bootstrap_labels | ef:flow/21a64fb3-700f-466d-a3ef-9d2e0120b044/v2 | ef:flow/21a64fb3-700f-466d-a3ef-9d2e0120b044/v3 |
| ef:activity/change/20260920T1042228874600000/59121 | context | ef:agent/default_context_mapping | ef:flow/21a64fb3-700f-466d-a3ef-9d2e0120b044/v3 | ef:flow/21a64fb3-700f-466d-a3ef-9d2e0120b044/v4 |
| ef:activity/change/20260920T1042228874600000/59122 | context_iri | ef:agent/default_context_mapping | ef:flow/21a64fb3-700f-466d-a3ef-9d2e0120b044/v4 | ef:flow/21a64fb3-700f-466d-a3ef-9d2e0120b044/v5 |
| ef:activity/change/20260920T1042228874600000/213822 | unit_iri | ef:agent/unit_normalization | ef:flow/21a64fb3-700f-466d-a3ef-9d2e0120b044/v5 | ef:flow/21a64fb3-700f-466d-a3ef-9d2e0120b044/v6 |
| ef:activity/change/20260920T1042228874600000/221427 | prefLabel | ef:agent/normalize_name_case | ef:flow/21a64fb3-700f-466d-a3ef-9d2e0120b044/v6 | ef:flow/21a64fb3-700f-466d-a3ef-9d2e0120b044/v7 |
| ef:activity/change/20260920T1042228874600000/228574 | properties | ef:agent/enrich_references | ef:flow/21a64fb3-700f-466d-a3ef-9d2e0120b044/v7 | ef:flow/21a64fb3-700f-466d-a3ef-9d2e0120b044/v8 |
| ef:activity/change/20260920T1042228874600000/228575 | skos_definition | ef:agent/enrich_references | ef:flow/21a64fb3-700f-466d-a3ef-9d2e0120b044/v8 | ef:flow/21a64fb3-700f-466d-a3ef-9d2e0120b044/v9 |
| ef:activity/change/20260920T1042228874600000/228576 | references | ef:agent/enrich_references | ef:flow/21a64fb3-700f-466d-a3ef-9d2e0120b044/v9 | ef:flow/21a64fb3-700f-466d-a3ef-9d2e0120b044/v10 |
| ef:activity/change/20260920T1042228874600000/248723 | properties | ef:agent/rdkit_pre_consensus | ef:flow/21a64fb3-700f-466d-a3ef-9d2e0120b044/v10 | ef:flow/21a64fb3-700f-466d-a3ef-9d2e0120b044/v11 |
| ef:activity/change/20260920T1042228874600000/254554 | altLabel | ef:agent/chebi_altlabels | ef:flow/21a64fb3-700f-466d-a3ef-9d2e0120b044/v11 | ef:flow/21a64fb3-700f-466d-a3ef-9d2e0120b044/v12 |
| ef:activity/change/20260920T1042228874600000/265667 | prefLabel | ef:agent/consensus_match | ef:flow/21a64fb3-700f-466d-a3ef-9d2e0120b044/v12 | ef:flow/21a64fb3-700f-466d-a3ef-9d2e0120b044/v13 |
| ef:activity/change/20260920T1042228874600000/265668 | altLabel | ef:agent/consensus_match | ef:flow/21a64fb3-700f-466d-a3ef-9d2e0120b044/v13 | ef:flow/21a64fb3-700f-466d-a3ef-9d2e0120b044/v14 |
| ef:activity/change/20260920T1042228874600000/265669 | altLabel | ef:agent/consensus_match | ef:flow/21a64fb3-700f-466d-a3ef-9d2e0120b044/v14 | ef:flow/21a64fb3-700f-466d-a3ef-9d2e0120b044/v15 |
| ef:activity/change/20260920T1042228874600000/265670 | cas_match_labels | ef:agent/consensus_match | ef:flow/21a64fb3-700f-466d-a3ef-9d2e0120b044/v15 | ef:flow/21a64fb3-700f-466d-a3ef-9d2e0120b044/v16 |
| ef:activity/change/20260920T1042228874600000/273845 | properties | ef:agent/opsin_iupac | ef:flow/21a64fb3-700f-466d-a3ef-9d2e0120b044/v16 | ef:flow/21a64fb3-700f-466d-a3ef-9d2e0120b044/v17 |
| ef:activity/change/20260920T1042228874600000/280234 | properties | ef:agent/rdkit_post_consensus | ef:flow/21a64fb3-700f-466d-a3ef-9d2e0120b044/v17 | ef:flow/21a64fb3-700f-466d-a3ef-9d2e0120b044/v18 |
| ef:activity/change/20260920T1042228874600000/292041 | altLabel | ef:agent/dedupe_altlabels | ef:flow/21a64fb3-700f-466d-a3ef-9d2e0120b044/v18 | ef:flow/21a64fb3-700f-466d-a3ef-9d2e0120b044/v19 |
| ef:activity/change/20260920T1042228874600000/310621 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/21a64fb3-700f-466d-a3ef-9d2e0120b044/v19 | ef:flow/21a64fb3-700f-466d-a3ef-9d2e0120b044/v20 |
| ef:activity/change/20260920T1042228874600000/388156 | properties | ef:agent/normalise_property_values | ef:flow/21a64fb3-700f-466d-a3ef-9d2e0120b044/v20 | ef:flow/21a64fb3-700f-466d-a3ef-9d2e0120b044/v21 |
| ef:activity/change/20260920T1042228874600000/394765 | types | ef:agent/link_flows_to_their_substance | ef:flow/21a64fb3-700f-466d-a3ef-9d2e0120b044/v21 | ef:flow/21a64fb3-700f-466d-a3ef-9d2e0120b044/v22 |