Trsodium Nitrilotriacetate Monohydrate
Everything that changed this flow. Back to the flow
00d8bdb0-3a65-4e77-aee3-452b68d80d9c
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, dedupe_altlabels | Deduplicated altLabel values and removed entries matching prefLabel |
| 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=trsodiumnitrilotriacetatemonohydrate||dimension=Environmental > media=Water > water_body=Long-term; group_sources=[]; cas_sources={'18662-53-8': []}; assigned CAS labels from group consensus; object_uuid=fo-77cc78d2e60c0684: {'18662-53-8': '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 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=['18662-53-8']; matched_chebi_ids=[]; candidate_pubchem_cids=[21152, 29194, 45157429, 131850239]; selected_pubchem_cids=[131850239]; 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 |
|---|---|---|---|---|---|
| 772 | bootstrap_labels | prefLabel | — | [{"@value":"trsodium nitrilotriacetate monohydrate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels"… | Bootstrapped prefLabel from legacy name field |
| 773 | bootstrap_labels | name | trsodium nitrilotriacetate monohydrate | — | Purged legacy name field to enforce prefLabel usage |
| 774 | bootstrap_labels | synonyms | [":trisodium nitrilotriacetic acid","AC1L1GY1","Acetic acid, nitrilotri-, trisodium salt, monohydrate","Glycine, N,N-bi… | [] | Removed legacy synonyms field in favor of structured labels |
| 26,432 | 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) |
| 26,433 | 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) |
| 213,598 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 221,278 | normalize_name_case | prefLabel | [{"@value":"trsodium nitrilotriacetate monohydrate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels"… | [{"@value":"Trsodium Nitrilotriacetate Monohydrate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels"… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 227,916 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H11NNa3O… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 227,917 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 227,918 | enrich_references | references | [] | [{"@id":"https://commonchemistry.cas.org/detail?cas_rn=18662-53-8","provenance":{"prov:wasGeneratedBy":"enrich_referenc… | Added references with provenance; cas_numbers=['18662-53-8']; matched_chebi_ids=[]; candidate_pubchem_cids=[21152, 29194, 45157429, 131850239]; selected_pubchem_cids=[131850239]; 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 |
| 248,529 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H11NNa3O… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H11NNa3O… | rdkit_pre_consensus from 'C(C(=O)O)N(CC(=O)O)CC(=O)O.O.[Na].[Na].[Na]'; added: molecular_mass, monoisotopic_mass |
| 273,175 | consensus_match | altLabel | [] | [{"@value":"Acetic acid, nitrilotri-, trisodium salt, monohydrate","@language":"en","source":{"prov:wasGeneratedBy":"co… | group_key=trsodiumnitrilotriacetatemonohydrate||dimension=Environmental > media=Water > water_body=Long-term; cas=18662-53-8; added Common Chemistry CAS names as altLabel: Acetic acid, nitrilotri-, trisodium salt, monohydrate, Glycine, <em>N</em>,<em>N</em>-bis(carboxymethyl)-, sodium salt, hydrate (1:3:1), Glycine, <em>N</em>,<em>N</em>-bis(carboxymethyl)-, trisodium salt, monohydrate, Nitrilotriacetic acid trisodium salt monohydrate, Trisodium nitrilotriacetate monohydrate; object_uuid=fo-77cc78d2e60c0684 |
| 273,176 | consensus_match | cas_match_labels | — | {"18662-53-8":"exactMatch"} | group_key=trsodiumnitrilotriacetatemonohydrate||dimension=Environmental > media=Water > water_body=Long-term; group_sources=[]; cas_sources={'18662-53-8': []}; assigned CAS labels from group consensus; object_uuid=fo-77cc78d2e60c0684: {'18662-53-8': 'exactMatch'} |
| 273,669 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H11NNa3O… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H11NNa3O… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Acetic acid, nitrilotri-, trisodium salt, monohydrate' |
| 280,036 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H11NNa3O… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H11NNa3O… | rdkit_post_consensus from 'O.O=C([O-])CN(CC(=O)[O-])CC(=O)[O-].[Na+].[Na+].[Na+]'; added: inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass; confirmed: smiles_string, inchi2d_string |
| 286,747 | withhold_ambiguous_mass | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H11NNa3O… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H11NNa3O… | withhold_ambiguous_mass: removed molecular_mass, monoisotopic_mass; the flow carries 2 candidate structures, so no one mass describes it |
| 292,012 | dedupe_altlabels | altLabel | [{"@value":"Acetic acid, nitrilotri-, trisodium salt, monohydrate","@language":"en","source":{"prov:wasGeneratedBy":"co… | [{"@value":"Acetic acid, nitrilotri-, trisodium salt, monohydrate","@language":"en","source":{"prov:wasGeneratedBy":"co… | Deduplicated altLabel values and removed entries matching prefLabel |
| 294,280 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/00d8bdb0-3a65-… | associations resolved on the elementary layer |
| 394,494 | 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/20260820T0738569779880000/772 | prefLabel | ef:agent/bootstrap_labels | ef:flow/00d8bdb0-3a65-4e77-aee3-452b68d80d9c/v0 | ef:flow/00d8bdb0-3a65-4e77-aee3-452b68d80d9c/v1 |
| ef:activity/change/20260820T0738569779880000/773 | name | ef:agent/bootstrap_labels | ef:flow/00d8bdb0-3a65-4e77-aee3-452b68d80d9c/v1 | ef:flow/00d8bdb0-3a65-4e77-aee3-452b68d80d9c/v2 |
| ef:activity/change/20260820T0738569779880000/774 | synonyms | ef:agent/bootstrap_labels | ef:flow/00d8bdb0-3a65-4e77-aee3-452b68d80d9c/v2 | ef:flow/00d8bdb0-3a65-4e77-aee3-452b68d80d9c/v3 |
| ef:activity/change/20260820T0738569779880000/26432 | context | ef:agent/default_context_mapping | ef:flow/00d8bdb0-3a65-4e77-aee3-452b68d80d9c/v3 | ef:flow/00d8bdb0-3a65-4e77-aee3-452b68d80d9c/v4 |
| ef:activity/change/20260820T0738569779880000/26433 | context_iri | ef:agent/default_context_mapping | ef:flow/00d8bdb0-3a65-4e77-aee3-452b68d80d9c/v4 | ef:flow/00d8bdb0-3a65-4e77-aee3-452b68d80d9c/v5 |
| ef:activity/change/20260820T0738569779880000/213598 | unit_iri | ef:agent/unit_normalization | ef:flow/00d8bdb0-3a65-4e77-aee3-452b68d80d9c/v5 | ef:flow/00d8bdb0-3a65-4e77-aee3-452b68d80d9c/v6 |
| ef:activity/change/20260820T0738569779880000/221278 | prefLabel | ef:agent/normalize_name_case | ef:flow/00d8bdb0-3a65-4e77-aee3-452b68d80d9c/v6 | ef:flow/00d8bdb0-3a65-4e77-aee3-452b68d80d9c/v7 |
| ef:activity/change/20260820T0738569779880000/227916 | properties | ef:agent/enrich_references | ef:flow/00d8bdb0-3a65-4e77-aee3-452b68d80d9c/v7 | ef:flow/00d8bdb0-3a65-4e77-aee3-452b68d80d9c/v8 |
| ef:activity/change/20260820T0738569779880000/227917 | skos_definition | ef:agent/enrich_references | ef:flow/00d8bdb0-3a65-4e77-aee3-452b68d80d9c/v8 | ef:flow/00d8bdb0-3a65-4e77-aee3-452b68d80d9c/v9 |
| ef:activity/change/20260820T0738569779880000/227918 | references | ef:agent/enrich_references | ef:flow/00d8bdb0-3a65-4e77-aee3-452b68d80d9c/v9 | ef:flow/00d8bdb0-3a65-4e77-aee3-452b68d80d9c/v10 |
| ef:activity/change/20260820T0738569779880000/248529 | properties | ef:agent/rdkit_pre_consensus | ef:flow/00d8bdb0-3a65-4e77-aee3-452b68d80d9c/v10 | ef:flow/00d8bdb0-3a65-4e77-aee3-452b68d80d9c/v11 |
| ef:activity/change/20260820T0738569779880000/273175 | altLabel | ef:agent/consensus_match | ef:flow/00d8bdb0-3a65-4e77-aee3-452b68d80d9c/v11 | ef:flow/00d8bdb0-3a65-4e77-aee3-452b68d80d9c/v12 |
| ef:activity/change/20260820T0738569779880000/273176 | cas_match_labels | ef:agent/consensus_match | ef:flow/00d8bdb0-3a65-4e77-aee3-452b68d80d9c/v12 | ef:flow/00d8bdb0-3a65-4e77-aee3-452b68d80d9c/v13 |
| ef:activity/change/20260820T0738569779880000/273669 | properties | ef:agent/opsin_iupac | ef:flow/00d8bdb0-3a65-4e77-aee3-452b68d80d9c/v13 | ef:flow/00d8bdb0-3a65-4e77-aee3-452b68d80d9c/v14 |
| ef:activity/change/20260820T0738569779880000/280036 | properties | ef:agent/rdkit_post_consensus | ef:flow/00d8bdb0-3a65-4e77-aee3-452b68d80d9c/v14 | ef:flow/00d8bdb0-3a65-4e77-aee3-452b68d80d9c/v15 |
| ef:activity/change/20260820T0738569779880000/286747 | properties | ef:agent/withhold_ambiguous_mass | ef:flow/00d8bdb0-3a65-4e77-aee3-452b68d80d9c/v15 | ef:flow/00d8bdb0-3a65-4e77-aee3-452b68d80d9c/v16 |
| ef:activity/change/20260820T0738569779880000/292012 | altLabel | ef:agent/dedupe_altlabels | ef:flow/00d8bdb0-3a65-4e77-aee3-452b68d80d9c/v16 | ef:flow/00d8bdb0-3a65-4e77-aee3-452b68d80d9c/v17 |
| ef:activity/change/20260820T0738569779880000/294280 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/00d8bdb0-3a65-4e77-aee3-452b68d80d9c/v17 | ef:flow/00d8bdb0-3a65-4e77-aee3-452b68d80d9c/v18 |
| ef:activity/change/20260820T0738569779880000/394494 | types | ef:agent/link_flows_to_their_substance | ef:flow/00d8bdb0-3a65-4e77-aee3-452b68d80d9c/v18 | ef:flow/00d8bdb0-3a65-4e77-aee3-452b68d80d9c/v19 |