Triethanolamine
Everything that changed this flow. Back to the flow
4d9a8790-3ddd-11dd-8ec0-0050c2490048
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 8 catalogue altLabel value(s): 'Alkanolamine 244' (trade name), 'NSC 36718' (registry code), 'Rhenofit 3555' (trade name), 'S 80' (grade code), 'S 80 (amine)' (grade code), 'TEA 99' (grade code), 'TEOA 99' (grade code), 'X 4501' (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=triethanolamine||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'102-71-6': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-11f1a78612ca1b06: {'102-71-6': '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, unspecified |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['102-71-6']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_28621']; candidate_pubchem_cids=[7618, 7896, 748023, 57349850]; selected_pubchem_cids=[7618]; 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 |
|---|---|---|---|---|---|
| 22,495 | bootstrap_labels | prefLabel | — | [{"@value":"triethanolamine","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo"… | Bootstrapped prefLabel from legacy name field |
| 22,496 | bootstrap_labels | name | triethanolamine | — | Purged legacy name field to enforce prefLabel usage |
| 22,497 | bootstrap_labels | synonyms | ["2,2',2\"-Nitrilotriethanol","2,2',2''-Nitrilotriethanol","2,2',2''-Nitrilotris(ethanol)","2,2',2''-Nitrilotris[ethano… | [] | Removed legacy synonyms field in favor of structured labels |
| 88,418 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified |
| 88,419 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified |
| 220,472 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 226,150 | normalize_name_case | prefLabel | [{"@value":"triethanolamine","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo"… | [{"@value":"Triethanolamine","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo"… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 247,444 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H15NO3"]… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 247,445 | enrich_references | skos_definition | — | [{"@value":"A tertiary amino compound that is ammonia in which each of the hydrogens is substituted by a 2-hydroxyethyl… | Merged ChEBI/PubChem definitions into skos:definition |
| 247,446 | enrich_references | references | [] | [{"@id":"drugcentral:2768","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedTo":"… | Added references with provenance; cas_numbers=['102-71-6']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_28621']; candidate_pubchem_cids=[7618, 7896, 748023, 57349850]; selected_pubchem_cids=[7618]; 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 |
| 254,163 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H15NO3"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H15NO3"]… | rdkit_pre_consensus from 'C(CO)N(CCO)CCO'; added: monoisotopic_mass |
| 257,200 | chebi_altlabels | altLabel | [] | [{"@value":"2,2',2''-NITRILOTRIETHANOL","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAtt… | Added 11 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 272,902 | consensus_match | altLabel | [{"@value":"2,2',2''-NITRILOTRIETHANOL","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAtt… | [{"@value":"2,2',2''-NITRILOTRIETHANOL","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAtt… | group_key=triethanolamine||dimension=Environmental > media=Ground > geography=Agricultural; cas=102-71-6; added Common Chemistry CAS names as altLabel: 2,2′,2′′-Nitrilotriethanol, 2,2′,2′′-Nitrilotris[ethanol], 2-[Bis(2-hydroxyethyl)amino]ethan-1-ol, 2-[Bis(2-hydroxyethyl)amino]ethanol, <em>N</em>,<em>N</em>,<em>N</em>-Tri(2-hydroxyethyl)amine, <em>tris</em>-(2-Hydroxyethyl)amine, Alkanolamine 244, Biafine, Daltogen, Ethanol, 2,2′,2′′-nitrilotri-, Ethanol, 2,2′,2′′-nitrilotris-, NSC 36718, Rhenofit 3555, S 80, S 80 (amine), Sterolamide, Sting-Kill, TEA (amino alcohol), TEA 99, TEA 99LFG, TEOA, TEOA 99, Tri(2-hydroxyethyl)amine, Triethanolamin, Tris(β-hydroxyethyl)amine, Tris-amino Ultra PC, Trolamine 99NF, X 4501; object_uuid=fo-11f1a78612ca1b06 |
| 272,903 | consensus_match | cas_match_labels | — | {"102-71-6":"exactMatch"} | group_key=triethanolamine||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'102-71-6': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-11f1a78612ca1b06: {'102-71-6': 'exactMatch'} |
| 279,373 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H15NO3"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H15NO3"]… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Triethanolamine' |
| 286,248 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H15NO3"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H15NO3"]… | rdkit_post_consensus from 'OCCN(CCO)CCO'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 291,604 | strip_catalogue_altlabels | altLabel | [{"@value":"2,2',2''-NITRILOTRIETHANOL","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAtt… | [{"@value":"2,2',2''-NITRILOTRIETHANOL","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAtt… | Removed 8 catalogue altLabel value(s): 'Alkanolamine 244' (trade name), 'NSC 36718' (registry code), 'Rhenofit 3555' (trade name), 'S 80' (grade code), 'S 80 (amine)' (grade code), 'TEA 99' (grade code), 'TEOA 99' (grade code), 'X 4501' (grade code) |
| 325,225 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/4d9a8790-3ddd-… | associations resolved on the elementary layer |
| 393,765 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H15NO3"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H15NO3"]… | typed the way the ontology types it |
| 402,944 | 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/20260821T1554374006150000/22495 | prefLabel | ef:agent/bootstrap_labels | ef:flow/4d9a8790-3ddd-11dd-8ec0-0050c2490048/v0 | ef:flow/4d9a8790-3ddd-11dd-8ec0-0050c2490048/v1 |
| ef:activity/change/20260821T1554374006150000/22496 | name | ef:agent/bootstrap_labels | ef:flow/4d9a8790-3ddd-11dd-8ec0-0050c2490048/v1 | ef:flow/4d9a8790-3ddd-11dd-8ec0-0050c2490048/v2 |
| ef:activity/change/20260821T1554374006150000/22497 | synonyms | ef:agent/bootstrap_labels | ef:flow/4d9a8790-3ddd-11dd-8ec0-0050c2490048/v2 | ef:flow/4d9a8790-3ddd-11dd-8ec0-0050c2490048/v3 |
| ef:activity/change/20260821T1554374006150000/88418 | context | ef:agent/default_context_mapping | ef:flow/4d9a8790-3ddd-11dd-8ec0-0050c2490048/v3 | ef:flow/4d9a8790-3ddd-11dd-8ec0-0050c2490048/v4 |
| ef:activity/change/20260821T1554374006150000/88419 | context_iri | ef:agent/default_context_mapping | ef:flow/4d9a8790-3ddd-11dd-8ec0-0050c2490048/v4 | ef:flow/4d9a8790-3ddd-11dd-8ec0-0050c2490048/v5 |
| ef:activity/change/20260821T1554374006150000/220472 | unit_iri | ef:agent/unit_normalization | ef:flow/4d9a8790-3ddd-11dd-8ec0-0050c2490048/v5 | ef:flow/4d9a8790-3ddd-11dd-8ec0-0050c2490048/v6 |
| ef:activity/change/20260821T1554374006150000/226150 | prefLabel | ef:agent/normalize_name_case | ef:flow/4d9a8790-3ddd-11dd-8ec0-0050c2490048/v6 | ef:flow/4d9a8790-3ddd-11dd-8ec0-0050c2490048/v7 |
| ef:activity/change/20260821T1554374006150000/247444 | properties | ef:agent/enrich_references | ef:flow/4d9a8790-3ddd-11dd-8ec0-0050c2490048/v7 | ef:flow/4d9a8790-3ddd-11dd-8ec0-0050c2490048/v8 |
| ef:activity/change/20260821T1554374006150000/247445 | skos_definition | ef:agent/enrich_references | ef:flow/4d9a8790-3ddd-11dd-8ec0-0050c2490048/v8 | ef:flow/4d9a8790-3ddd-11dd-8ec0-0050c2490048/v9 |
| ef:activity/change/20260821T1554374006150000/247446 | references | ef:agent/enrich_references | ef:flow/4d9a8790-3ddd-11dd-8ec0-0050c2490048/v9 | ef:flow/4d9a8790-3ddd-11dd-8ec0-0050c2490048/v10 |
| ef:activity/change/20260821T1554374006150000/254163 | properties | ef:agent/rdkit_pre_consensus | ef:flow/4d9a8790-3ddd-11dd-8ec0-0050c2490048/v10 | ef:flow/4d9a8790-3ddd-11dd-8ec0-0050c2490048/v11 |
| ef:activity/change/20260821T1554374006150000/257200 | altLabel | ef:agent/chebi_altlabels | ef:flow/4d9a8790-3ddd-11dd-8ec0-0050c2490048/v11 | ef:flow/4d9a8790-3ddd-11dd-8ec0-0050c2490048/v12 |
| ef:activity/change/20260821T1554374006150000/272902 | altLabel | ef:agent/consensus_match | ef:flow/4d9a8790-3ddd-11dd-8ec0-0050c2490048/v12 | ef:flow/4d9a8790-3ddd-11dd-8ec0-0050c2490048/v13 |
| ef:activity/change/20260821T1554374006150000/272903 | cas_match_labels | ef:agent/consensus_match | ef:flow/4d9a8790-3ddd-11dd-8ec0-0050c2490048/v13 | ef:flow/4d9a8790-3ddd-11dd-8ec0-0050c2490048/v14 |
| ef:activity/change/20260821T1554374006150000/279373 | properties | ef:agent/opsin_iupac | ef:flow/4d9a8790-3ddd-11dd-8ec0-0050c2490048/v14 | ef:flow/4d9a8790-3ddd-11dd-8ec0-0050c2490048/v15 |
| ef:activity/change/20260821T1554374006150000/286248 | properties | ef:agent/rdkit_post_consensus | ef:flow/4d9a8790-3ddd-11dd-8ec0-0050c2490048/v15 | ef:flow/4d9a8790-3ddd-11dd-8ec0-0050c2490048/v16 |
| ef:activity/change/20260821T1554374006150000/291604 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/4d9a8790-3ddd-11dd-8ec0-0050c2490048/v16 | ef:flow/4d9a8790-3ddd-11dd-8ec0-0050c2490048/v17 |
| ef:activity/change/20260821T1554374006150000/325225 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/4d9a8790-3ddd-11dd-8ec0-0050c2490048/v17 | ef:flow/4d9a8790-3ddd-11dd-8ec0-0050c2490048/v18 |
| ef:activity/change/20260821T1554374006150000/393765 | properties | ef:agent/normalise_property_values | ef:flow/4d9a8790-3ddd-11dd-8ec0-0050c2490048/v18 | ef:flow/4d9a8790-3ddd-11dd-8ec0-0050c2490048/v19 |
| ef:activity/change/20260821T1554374006150000/402944 | types | ef:agent/link_flows_to_their_substance | ef:flow/4d9a8790-3ddd-11dd-8ec0-0050c2490048/v19 | ef:flow/4d9a8790-3ddd-11dd-8ec0-0050c2490048/v20 |