Diethanolamine
Everything that changed this flow. Back to the flow
fe0acd60-3ddc-11dd-a409-0050c2490048
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 4 catalogue altLabel value(s): 'D 5230' (grade code), 'DEA 80' (grade code), 'NSC 4959' (registry code), 'S 0376' (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=diethanolamine||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'111-42-2': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-544ef699e986e79e: {'111-42-2': '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 non-urban air or from high stacks |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to non-urban air or from high stacks |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['111-42-2']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_28123']; candidate_pubchem_cids=[8113, 3736299]; selected_pubchem_cids=[8113]; 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 |
|---|---|---|---|---|---|
| 22,463 | bootstrap_labels | prefLabel | — | [{"@value":"diethanolamine","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":… | Bootstrapped prefLabel from legacy name field |
| 22,464 | bootstrap_labels | name | diethanolamine | — | Purged legacy name field to enforce prefLabel usage |
| 22,465 | bootstrap_labels | synonyms | ["2,2'-Dihydroxydiethylamine","2,2'-Iminobis[ethanol]","2,2'-Iminobisethanol","2,2'-Iminobisethanol, N-tallow alkyl, N-… | [] | Removed legacy synonyms field in favor of structured labels |
| 205,278 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Medium stack, <150 meters","population_density":"Rural (<1000 peop… | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to non-urban air or from high stacks |
| 205,279 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-mest15me-ru10pesq | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to non-urban air or from high stacks |
| 220,461 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 226,143 | normalize_name_case | prefLabel | [{"@value":"diethanolamine","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":… | [{"@value":"Diethanolamine","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 247,423 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H11NO2"]… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 247,424 | enrich_references | skos_definition | — | [{"@value":"A member of the class of ethanolamines that is ethanolamine having a N-hydroxyethyl substituent.","@languag… | Merged ChEBI/PubChem definitions into skos:definition |
| 247,425 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J808G","provenance":{"prov:wasGeneratedBy":"enrich_references.… | Added references with provenance; cas_numbers=['111-42-2']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_28123']; candidate_pubchem_cids=[8113, 3736299]; selected_pubchem_cids=[8113]; 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 |
| 254,157 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H11NO2"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H11NO2"]… | rdkit_pre_consensus from 'C(CO)NCCO'; added: monoisotopic_mass |
| 257,193 | chebi_altlabels | altLabel | [] | [{"@value":"2,2'-iminodiethanol","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributed… | Added 5 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 265,872 | consensus_match | altLabel | [{"@value":"2,2'-iminodiethanol","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributed… | [{"@value":"2,2'-iminodiethanol","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributed… | group_key=diethanolamine||dimension=Environmental > media=Ground > geography=Agricultural; cas=111-42-2; added Common Chemistry CAS names as altLabel: 2,2′-Azanediylbis(ethanol), 2,2′-Azanediyldiethanol, 2,2′-Dihydroxydiethylamine, 2,2′-Iminobis[ethanol], 2,2′-Iminodi-1-ethanol, 2,2′-Iminodiethanol, 2-[(2-Hydroxyethyl)amino]ethan-1-ol, 2-[(2-Hydroxyethyl)amino]ethanol, <em>N</em>,<em>N</em>-Bis(2-hydroxyethyl)amine, <em>N</em>,<em>N</em>-Di(2-hydroxyethyl)amine, <em>N</em>,<em>N</em>-Diethanolamine, Bis(2-hydroxyethyl)amine, Bis(hydroxyethyl)amine, D 5230, DEA 80, DEAO-LF, DEOA, DEOA LF, Dabco DEOA-LF, Di(2-hydroxyethyl)amine, Di(β-hydroxyethyl)amine, Diethanolamine 80, Ethanol, 2,2′-iminobis-, Ethanol, 2,2′-iminodi-, Iminodiethanol, NSC 4959, Niax DEOA-LF, PC DEOA, S 0376, Tegoamin DEOA, Tegoamin DEOA 85; object_uuid=fo-544ef699e986e79e |
| 265,873 | consensus_match | cas_match_labels | — | {"111-42-2":"exactMatch"} | group_key=diethanolamine||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'111-42-2': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-544ef699e986e79e: {'111-42-2': 'exactMatch'} |
| 279,363 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H11NO2"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H11NO2"]… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Diethanolamine' |
| 286,238 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H11NO2"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H11NO2"]… | rdkit_post_consensus from 'OCCNCCO'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 291,597 | strip_catalogue_altlabels | altLabel | [{"@value":"2,2'-iminodiethanol","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributed… | [{"@value":"2,2'-iminodiethanol","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributed… | Removed 4 catalogue altLabel value(s): 'D 5230' (grade code), 'DEA 80' (grade code), 'NSC 4959' (registry code), 'S 0376' (grade code) |
| 383,674 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/fe0acd60-3ddc-… | associations resolved on the elementary layer |
| 393,755 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H11NO2"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H11NO2"]… | typed the way the ontology types it |
| 402,929 | 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/20260822T0600486828500000/22463 | prefLabel | ef:agent/bootstrap_labels | ef:flow/fe0acd60-3ddc-11dd-a409-0050c2490048/v0 | ef:flow/fe0acd60-3ddc-11dd-a409-0050c2490048/v1 |
| ef:activity/change/20260822T0600486828500000/22464 | name | ef:agent/bootstrap_labels | ef:flow/fe0acd60-3ddc-11dd-a409-0050c2490048/v1 | ef:flow/fe0acd60-3ddc-11dd-a409-0050c2490048/v2 |
| ef:activity/change/20260822T0600486828500000/22465 | synonyms | ef:agent/bootstrap_labels | ef:flow/fe0acd60-3ddc-11dd-a409-0050c2490048/v2 | ef:flow/fe0acd60-3ddc-11dd-a409-0050c2490048/v3 |
| ef:activity/change/20260822T0600486828500000/205278 | context | ef:agent/default_context_mapping | ef:flow/fe0acd60-3ddc-11dd-a409-0050c2490048/v3 | ef:flow/fe0acd60-3ddc-11dd-a409-0050c2490048/v4 |
| ef:activity/change/20260822T0600486828500000/205279 | context_iri | ef:agent/default_context_mapping | ef:flow/fe0acd60-3ddc-11dd-a409-0050c2490048/v4 | ef:flow/fe0acd60-3ddc-11dd-a409-0050c2490048/v5 |
| ef:activity/change/20260822T0600486828500000/220461 | unit_iri | ef:agent/unit_normalization | ef:flow/fe0acd60-3ddc-11dd-a409-0050c2490048/v5 | ef:flow/fe0acd60-3ddc-11dd-a409-0050c2490048/v6 |
| ef:activity/change/20260822T0600486828500000/226143 | prefLabel | ef:agent/normalize_name_case | ef:flow/fe0acd60-3ddc-11dd-a409-0050c2490048/v6 | ef:flow/fe0acd60-3ddc-11dd-a409-0050c2490048/v7 |
| ef:activity/change/20260822T0600486828500000/247423 | properties | ef:agent/enrich_references | ef:flow/fe0acd60-3ddc-11dd-a409-0050c2490048/v7 | ef:flow/fe0acd60-3ddc-11dd-a409-0050c2490048/v8 |
| ef:activity/change/20260822T0600486828500000/247424 | skos_definition | ef:agent/enrich_references | ef:flow/fe0acd60-3ddc-11dd-a409-0050c2490048/v8 | ef:flow/fe0acd60-3ddc-11dd-a409-0050c2490048/v9 |
| ef:activity/change/20260822T0600486828500000/247425 | references | ef:agent/enrich_references | ef:flow/fe0acd60-3ddc-11dd-a409-0050c2490048/v9 | ef:flow/fe0acd60-3ddc-11dd-a409-0050c2490048/v10 |
| ef:activity/change/20260822T0600486828500000/254157 | properties | ef:agent/rdkit_pre_consensus | ef:flow/fe0acd60-3ddc-11dd-a409-0050c2490048/v10 | ef:flow/fe0acd60-3ddc-11dd-a409-0050c2490048/v11 |
| ef:activity/change/20260822T0600486828500000/257193 | altLabel | ef:agent/chebi_altlabels | ef:flow/fe0acd60-3ddc-11dd-a409-0050c2490048/v11 | ef:flow/fe0acd60-3ddc-11dd-a409-0050c2490048/v12 |
| ef:activity/change/20260822T0600486828500000/265872 | altLabel | ef:agent/consensus_match | ef:flow/fe0acd60-3ddc-11dd-a409-0050c2490048/v12 | ef:flow/fe0acd60-3ddc-11dd-a409-0050c2490048/v13 |
| ef:activity/change/20260822T0600486828500000/265873 | cas_match_labels | ef:agent/consensus_match | ef:flow/fe0acd60-3ddc-11dd-a409-0050c2490048/v13 | ef:flow/fe0acd60-3ddc-11dd-a409-0050c2490048/v14 |
| ef:activity/change/20260822T0600486828500000/279363 | properties | ef:agent/opsin_iupac | ef:flow/fe0acd60-3ddc-11dd-a409-0050c2490048/v14 | ef:flow/fe0acd60-3ddc-11dd-a409-0050c2490048/v15 |
| ef:activity/change/20260822T0600486828500000/286238 | properties | ef:agent/rdkit_post_consensus | ef:flow/fe0acd60-3ddc-11dd-a409-0050c2490048/v15 | ef:flow/fe0acd60-3ddc-11dd-a409-0050c2490048/v16 |
| ef:activity/change/20260822T0600486828500000/291597 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/fe0acd60-3ddc-11dd-a409-0050c2490048/v16 | ef:flow/fe0acd60-3ddc-11dd-a409-0050c2490048/v17 |
| ef:activity/change/20260822T0600486828500000/383674 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/fe0acd60-3ddc-11dd-a409-0050c2490048/v17 | ef:flow/fe0acd60-3ddc-11dd-a409-0050c2490048/v18 |
| ef:activity/change/20260822T0600486828500000/393755 | properties | ef:agent/normalise_property_values | ef:flow/fe0acd60-3ddc-11dd-a409-0050c2490048/v18 | ef:flow/fe0acd60-3ddc-11dd-a409-0050c2490048/v19 |
| ef:activity/change/20260822T0600486828500000/402929 | types | ef:agent/link_flows_to_their_substance | ef:flow/fe0acd60-3ddc-11dd-a409-0050c2490048/v19 | ef:flow/fe0acd60-3ddc-11dd-a409-0050c2490048/v20 |