Nitrilotriacetic Acid
Everything that changed this flow. Back to the flow
08a91e70-3ddc-11dd-96db-0050c2490048
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 3 catalogue altLabel value(s): 'Chel 300' (grade code), 'N 0098' (grade code), 'NSC 2121' (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=nitrilotriaceticacid||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'139-13-9': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-19253a98d1a05690: {'139-13-9': '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=['139-13-9']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_44557']; candidate_pubchem_cids=[8758, 17962642]; selected_pubchem_cids=[8758]; 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 |
|---|---|---|---|---|---|
| 3,407 | bootstrap_labels | prefLabel | — | [{"@value":"nitrilotriacetic acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttribu… | Bootstrapped prefLabel from legacy name field |
| 3,408 | bootstrap_labels | name | nitrilotriacetic acid | — | Purged legacy name field to enforce prefLabel usage |
| 3,409 | bootstrap_labels | synonyms | [".alpha.,.alpha.',.alpha.''-Trimethylaminetricarboxylic acid","2,2',2''-nitrilotriacetic acid","2-[bis(carboxymethyl)a… | [] | Removed legacy synonyms field in favor of structured labels |
| 35,466 | 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 |
| 35,467 | 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 |
| 214,476 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 221,875 | normalize_name_case | prefLabel | [{"@value":"nitrilotriacetic acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttribu… | [{"@value":"Nitrilotriacetic Acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttribu… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 230,462 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H9NO6"],… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 230,463 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 230,464 | enrich_references | references | [] | [{"@id":"beilstein:1710776","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedTo":… | Added references with provenance; cas_numbers=['139-13-9']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_44557']; candidate_pubchem_cids=[8758, 17962642]; selected_pubchem_cids=[8758]; 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 |
| 249,268 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H9NO6"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H9NO6"],… | rdkit_pre_consensus from 'C(C(=O)O)N(CC(=O)O)CC(=O)O'; added: monoisotopic_mass |
| 254,788 | chebi_altlabels | altLabel | [] | [{"@value":"Complexon I","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"con… | Added 14 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 269,887 | consensus_match | altLabel | [{"@value":"Complexon I","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"con… | [{"@value":"Complexon I","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"con… | group_key=nitrilotriaceticacid||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=139-13-9; added Common Chemistry CAS names as altLabel: (Bis-carboxymethyl-amino)-acetic acid, 2-[Bis(carboxymethyl)amino]acetic acid, 412: PN: WO2007070372 PAGE: 72 claimed protein, Acetic acid, nitrilotri-, Chel 300, Chelest NT, Dissolvine A, Dissolvine AZ, Glycine, <em>N</em>,<em>N</em>-bis(carboxymethyl)-, Glycine-<em>N</em>,<em>N</em>-diacetic acid, Hampshire NTA acid, MeSH ID: D009571, N 0098, NSC 2121, Nitrilo-2,2′,2′′-triacetic acid, Nitrilo-<em>N</em>,<em>N</em>,<em>N</em>-triacetic acid, Nitrilotris(methylenecarboxylic acid), Titriplex I, Trilon AS, Tris(carboxymethyl)amine, Tris(hydroxycarbonylmethyl)amine, Versene NTA acid, α,α′,α′′-Trimethylaminetricarboxylic acid; object_uuid=fo-19253a98d1a05690 |
| 269,888 | consensus_match | cas_match_labels | — | {"139-13-9":"exactMatch"} | group_key=nitrilotriaceticacid||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'139-13-9': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-19253a98d1a05690: {'139-13-9': 'exactMatch'} |
| 274,388 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H9NO6"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H9NO6"],… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Nitrilotriacetic Acid' |
| 280,823 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H9NO6"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H9NO6"],… | rdkit_post_consensus from 'O=C(O)CN(CC(=O)O)CC(=O)O'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 287,940 | strip_catalogue_altlabels | altLabel | [{"@value":"Complexon I","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"con… | [{"@value":"Complexon I","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"con… | Removed 3 catalogue altLabel value(s): 'Chel 300' (grade code), 'N 0098' (grade code), 'NSC 2121' (registry code) |
| 298,763 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/08a91e70-3ddc-… | associations resolved on the elementary layer |
| 388,681 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H9NO6"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H9NO6"],… | typed the way the ontology types it |
| 395,516 | 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/20260822T0600486828500000/3407 | prefLabel | ef:agent/bootstrap_labels | ef:flow/08a91e70-3ddc-11dd-96db-0050c2490048/v0 | ef:flow/08a91e70-3ddc-11dd-96db-0050c2490048/v1 |
| ef:activity/change/20260822T0600486828500000/3408 | name | ef:agent/bootstrap_labels | ef:flow/08a91e70-3ddc-11dd-96db-0050c2490048/v1 | ef:flow/08a91e70-3ddc-11dd-96db-0050c2490048/v2 |
| ef:activity/change/20260822T0600486828500000/3409 | synonyms | ef:agent/bootstrap_labels | ef:flow/08a91e70-3ddc-11dd-96db-0050c2490048/v2 | ef:flow/08a91e70-3ddc-11dd-96db-0050c2490048/v3 |
| ef:activity/change/20260822T0600486828500000/35466 | context | ef:agent/default_context_mapping | ef:flow/08a91e70-3ddc-11dd-96db-0050c2490048/v3 | ef:flow/08a91e70-3ddc-11dd-96db-0050c2490048/v4 |
| ef:activity/change/20260822T0600486828500000/35467 | context_iri | ef:agent/default_context_mapping | ef:flow/08a91e70-3ddc-11dd-96db-0050c2490048/v4 | ef:flow/08a91e70-3ddc-11dd-96db-0050c2490048/v5 |
| ef:activity/change/20260822T0600486828500000/214476 | unit_iri | ef:agent/unit_normalization | ef:flow/08a91e70-3ddc-11dd-96db-0050c2490048/v5 | ef:flow/08a91e70-3ddc-11dd-96db-0050c2490048/v6 |
| ef:activity/change/20260822T0600486828500000/221875 | prefLabel | ef:agent/normalize_name_case | ef:flow/08a91e70-3ddc-11dd-96db-0050c2490048/v6 | ef:flow/08a91e70-3ddc-11dd-96db-0050c2490048/v7 |
| ef:activity/change/20260822T0600486828500000/230462 | properties | ef:agent/enrich_references | ef:flow/08a91e70-3ddc-11dd-96db-0050c2490048/v7 | ef:flow/08a91e70-3ddc-11dd-96db-0050c2490048/v8 |
| ef:activity/change/20260822T0600486828500000/230463 | skos_definition | ef:agent/enrich_references | ef:flow/08a91e70-3ddc-11dd-96db-0050c2490048/v8 | ef:flow/08a91e70-3ddc-11dd-96db-0050c2490048/v9 |
| ef:activity/change/20260822T0600486828500000/230464 | references | ef:agent/enrich_references | ef:flow/08a91e70-3ddc-11dd-96db-0050c2490048/v9 | ef:flow/08a91e70-3ddc-11dd-96db-0050c2490048/v10 |
| ef:activity/change/20260822T0600486828500000/249268 | properties | ef:agent/rdkit_pre_consensus | ef:flow/08a91e70-3ddc-11dd-96db-0050c2490048/v10 | ef:flow/08a91e70-3ddc-11dd-96db-0050c2490048/v11 |
| ef:activity/change/20260822T0600486828500000/254788 | altLabel | ef:agent/chebi_altlabels | ef:flow/08a91e70-3ddc-11dd-96db-0050c2490048/v11 | ef:flow/08a91e70-3ddc-11dd-96db-0050c2490048/v12 |
| ef:activity/change/20260822T0600486828500000/269887 | altLabel | ef:agent/consensus_match | ef:flow/08a91e70-3ddc-11dd-96db-0050c2490048/v12 | ef:flow/08a91e70-3ddc-11dd-96db-0050c2490048/v13 |
| ef:activity/change/20260822T0600486828500000/269888 | cas_match_labels | ef:agent/consensus_match | ef:flow/08a91e70-3ddc-11dd-96db-0050c2490048/v13 | ef:flow/08a91e70-3ddc-11dd-96db-0050c2490048/v14 |
| ef:activity/change/20260822T0600486828500000/274388 | properties | ef:agent/opsin_iupac | ef:flow/08a91e70-3ddc-11dd-96db-0050c2490048/v14 | ef:flow/08a91e70-3ddc-11dd-96db-0050c2490048/v15 |
| ef:activity/change/20260822T0600486828500000/280823 | properties | ef:agent/rdkit_post_consensus | ef:flow/08a91e70-3ddc-11dd-96db-0050c2490048/v15 | ef:flow/08a91e70-3ddc-11dd-96db-0050c2490048/v16 |
| ef:activity/change/20260822T0600486828500000/287940 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/08a91e70-3ddc-11dd-96db-0050c2490048/v16 | ef:flow/08a91e70-3ddc-11dd-96db-0050c2490048/v17 |
| ef:activity/change/20260822T0600486828500000/298763 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/08a91e70-3ddc-11dd-96db-0050c2490048/v17 | ef:flow/08a91e70-3ddc-11dd-96db-0050c2490048/v18 |
| ef:activity/change/20260822T0600486828500000/388681 | properties | ef:agent/normalise_property_values | ef:flow/08a91e70-3ddc-11dd-96db-0050c2490048/v18 | ef:flow/08a91e70-3ddc-11dd-96db-0050c2490048/v19 |
| ef:activity/change/20260822T0600486828500000/395516 | types | ef:agent/link_flows_to_their_substance | ef:flow/08a91e70-3ddc-11dd-96db-0050c2490048/v19 | ef:flow/08a91e70-3ddc-11dd-96db-0050c2490048/v20 |