Diisopropanolamine
Everything that changed this flow. Back to the flow
b8c288ab-ac9f-4fc7-ac4a-9b489e9e0977
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, strip_catalogue_altlabels | Removed 1 catalogue altLabel value(s): 'NSC 4963' (registry code) |
| prefLabel | 2 | bootstrap_labels, consensus_match | cas=110-97-4; cc_chebi_agreed_name='Diisopropanolamine'; object_uuid=fo-422d70994e8179c1 |
| cas_match_labels | 1 | consensus_match | group_key=1,1'-iminodipropan-2-ol||dimension=Environmental > media=Air > strata=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'110-97-4': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-422d70994e8179c1: {'110-97-4': '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=['110-97-4']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_143266']; candidate_pubchem_cids=[8086, 40751, 96734, 5324729, 7031852, 9833967]; selected_pubchem_cids=[8086]; 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
21| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 63 | bootstrap_labels | prefLabel | — | [{"@value":"1,1'-iminodipropan-2-ol","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttri… | Bootstrapped prefLabel from legacy name field |
| 64 | bootstrap_labels | name | 1,1'-iminodipropan-2-ol | — | Purged legacy name field to enforce prefLabel usage |
| 65 | bootstrap_labels | synonyms | ["1,1'-Iminobis-2-propanol","1,1'-Iminobis[2-propanol]","1,1'-Iminodi-2-propanol","1-(2-hydroxypropylamino)propan-2-ol"… | [] | Removed legacy synonyms field in favor of structured labels |
| 159,486 | 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 |
| 159,487 | 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 |
| 213,359 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 227,226 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H15NO2"]… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 227,227 | enrich_references | skos_definition | — | [{"@value":"A secondary amino compound that is diethanolamine substituted by methyl groups at positions 1 and 1'. It is… | Merged ChEBI/PubChem definitions into skos:definition |
| 227,228 | enrich_references | references | [] | [{"@id":"beilstein:605363","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedTo":"… | Added references with provenance; cas_numbers=['110-97-4']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_143266']; candidate_pubchem_cids=[8086, 40751, 96734, 5324729, 7031852, 9833967]; selected_pubchem_cids=[8086]; 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 |
| 248,325 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H15NO2"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H15NO2"]… | rdkit_pre_consensus from 'CC(CNCC(C)O)O'; added: monoisotopic_mass |
| 254,397 | chebi_altlabels | altLabel | [] | [{"@value":"1,1'-azanediylbis propan-2-ol","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:was… | Added 14 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 258,054 | consensus_match | prefLabel | [{"@value":"1,1'-iminodipropan-2-ol","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttri… | [{"@value":"Diisopropanolamine","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedT… | cas=110-97-4; cc_chebi_agreed_name='Diisopropanolamine'; object_uuid=fo-422d70994e8179c1 |
| 258,055 | consensus_match | altLabel | [{"@value":"1,1'-azanediylbis propan-2-ol","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:was… | [{"@value":"1,1'-azanediylbis propan-2-ol","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:was… | cas=110-97-4; added original name as altLabel after CC/ChEBI rename; object_uuid=fo-422d70994e8179c1 |
| 258,056 | consensus_match | altLabel | [{"@value":"1,1'-azanediylbis propan-2-ol","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:was… | [{"@value":"1,1'-azanediylbis propan-2-ol","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:was… | group_key=1,1'-iminodipropan-2-ol||dimension=Environmental > media=Air > strata=Unknown; cas=110-97-4; added Common Chemistry CAS names as altLabel: 1,1′-Iminobis[2-propanol], 1,1′-Iminodi-2-propanol, 1-(2-Hydroxypropylamino)propan-2-ol, 2-Propanol, 1,1′-iminobis-, 2-Propanol, 1,1′-iminodi-, <em>N</em>,<em>N</em>-Diisopropanolamine, DIPA (alcohol), NSC 4963, PC DIPA; object_uuid=fo-422d70994e8179c1 |
| 258,057 | consensus_match | cas_match_labels | — | {"110-97-4":"exactMatch"} | group_key=1,1'-iminodipropan-2-ol||dimension=Environmental > media=Air > strata=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'110-97-4': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-422d70994e8179c1: {'110-97-4': 'exactMatch'} |
| 273,468 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H15NO2"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H15NO2"]… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '1,1'-azanediylbis propan-2-ol' |
| 279,819 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H15NO2"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H15NO2"]… | rdkit_post_consensus from 'CC(O)CNCC(C)O'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 287,281 | strip_catalogue_altlabels | altLabel | [{"@value":"1,1'-azanediylbis propan-2-ol","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:was… | [{"@value":"1,1'-azanediylbis propan-2-ol","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:was… | Removed 1 catalogue altLabel value(s): 'NSC 4963' (registry code) |
| 360,787 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/b8c288ab-ac9f-… | associations resolved on the elementary layer |
| 387,749 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H15NO2"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H15NO2"]… | typed the way the ontology types it |
| 394,209 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
PROV-O trail
21 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/20260820T0738569779880000/63 | prefLabel | ef:agent/bootstrap_labels | ef:flow/b8c288ab-ac9f-4fc7-ac4a-9b489e9e0977/v0 | ef:flow/b8c288ab-ac9f-4fc7-ac4a-9b489e9e0977/v1 |
| ef:activity/change/20260820T0738569779880000/64 | name | ef:agent/bootstrap_labels | ef:flow/b8c288ab-ac9f-4fc7-ac4a-9b489e9e0977/v1 | ef:flow/b8c288ab-ac9f-4fc7-ac4a-9b489e9e0977/v2 |
| ef:activity/change/20260820T0738569779880000/65 | synonyms | ef:agent/bootstrap_labels | ef:flow/b8c288ab-ac9f-4fc7-ac4a-9b489e9e0977/v2 | ef:flow/b8c288ab-ac9f-4fc7-ac4a-9b489e9e0977/v3 |
| ef:activity/change/20260820T0738569779880000/159486 | context | ef:agent/default_context_mapping | ef:flow/b8c288ab-ac9f-4fc7-ac4a-9b489e9e0977/v3 | ef:flow/b8c288ab-ac9f-4fc7-ac4a-9b489e9e0977/v4 |
| ef:activity/change/20260820T0738569779880000/159487 | context_iri | ef:agent/default_context_mapping | ef:flow/b8c288ab-ac9f-4fc7-ac4a-9b489e9e0977/v4 | ef:flow/b8c288ab-ac9f-4fc7-ac4a-9b489e9e0977/v5 |
| ef:activity/change/20260820T0738569779880000/213359 | unit_iri | ef:agent/unit_normalization | ef:flow/b8c288ab-ac9f-4fc7-ac4a-9b489e9e0977/v5 | ef:flow/b8c288ab-ac9f-4fc7-ac4a-9b489e9e0977/v6 |
| ef:activity/change/20260820T0738569779880000/227226 | properties | ef:agent/enrich_references | ef:flow/b8c288ab-ac9f-4fc7-ac4a-9b489e9e0977/v6 | ef:flow/b8c288ab-ac9f-4fc7-ac4a-9b489e9e0977/v7 |
| ef:activity/change/20260820T0738569779880000/227227 | skos_definition | ef:agent/enrich_references | ef:flow/b8c288ab-ac9f-4fc7-ac4a-9b489e9e0977/v7 | ef:flow/b8c288ab-ac9f-4fc7-ac4a-9b489e9e0977/v8 |
| ef:activity/change/20260820T0738569779880000/227228 | references | ef:agent/enrich_references | ef:flow/b8c288ab-ac9f-4fc7-ac4a-9b489e9e0977/v8 | ef:flow/b8c288ab-ac9f-4fc7-ac4a-9b489e9e0977/v9 |
| ef:activity/change/20260820T0738569779880000/248325 | properties | ef:agent/rdkit_pre_consensus | ef:flow/b8c288ab-ac9f-4fc7-ac4a-9b489e9e0977/v9 | ef:flow/b8c288ab-ac9f-4fc7-ac4a-9b489e9e0977/v10 |
| ef:activity/change/20260820T0738569779880000/254397 | altLabel | ef:agent/chebi_altlabels | ef:flow/b8c288ab-ac9f-4fc7-ac4a-9b489e9e0977/v10 | ef:flow/b8c288ab-ac9f-4fc7-ac4a-9b489e9e0977/v11 |
| ef:activity/change/20260820T0738569779880000/258054 | prefLabel | ef:agent/consensus_match | ef:flow/b8c288ab-ac9f-4fc7-ac4a-9b489e9e0977/v11 | ef:flow/b8c288ab-ac9f-4fc7-ac4a-9b489e9e0977/v12 |
| ef:activity/change/20260820T0738569779880000/258055 | altLabel | ef:agent/consensus_match | ef:flow/b8c288ab-ac9f-4fc7-ac4a-9b489e9e0977/v12 | ef:flow/b8c288ab-ac9f-4fc7-ac4a-9b489e9e0977/v13 |
| ef:activity/change/20260820T0738569779880000/258056 | altLabel | ef:agent/consensus_match | ef:flow/b8c288ab-ac9f-4fc7-ac4a-9b489e9e0977/v13 | ef:flow/b8c288ab-ac9f-4fc7-ac4a-9b489e9e0977/v14 |
| ef:activity/change/20260820T0738569779880000/258057 | cas_match_labels | ef:agent/consensus_match | ef:flow/b8c288ab-ac9f-4fc7-ac4a-9b489e9e0977/v14 | ef:flow/b8c288ab-ac9f-4fc7-ac4a-9b489e9e0977/v15 |
| ef:activity/change/20260820T0738569779880000/273468 | properties | ef:agent/opsin_iupac | ef:flow/b8c288ab-ac9f-4fc7-ac4a-9b489e9e0977/v15 | ef:flow/b8c288ab-ac9f-4fc7-ac4a-9b489e9e0977/v16 |
| ef:activity/change/20260820T0738569779880000/279819 | properties | ef:agent/rdkit_post_consensus | ef:flow/b8c288ab-ac9f-4fc7-ac4a-9b489e9e0977/v16 | ef:flow/b8c288ab-ac9f-4fc7-ac4a-9b489e9e0977/v17 |
| ef:activity/change/20260820T0738569779880000/287281 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/b8c288ab-ac9f-4fc7-ac4a-9b489e9e0977/v17 | ef:flow/b8c288ab-ac9f-4fc7-ac4a-9b489e9e0977/v18 |
| ef:activity/change/20260820T0738569779880000/360787 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/b8c288ab-ac9f-4fc7-ac4a-9b489e9e0977/v18 | ef:flow/b8c288ab-ac9f-4fc7-ac4a-9b489e9e0977/v19 |
| ef:activity/change/20260820T0738569779880000/387749 | properties | ef:agent/normalise_property_values | ef:flow/b8c288ab-ac9f-4fc7-ac4a-9b489e9e0977/v19 | ef:flow/b8c288ab-ac9f-4fc7-ac4a-9b489e9e0977/v20 |
| ef:activity/change/20260820T0738569779880000/394209 | types | ef:agent/link_flows_to_their_substance | ef:flow/b8c288ab-ac9f-4fc7-ac4a-9b489e9e0977/v20 | ef:flow/b8c288ab-ac9f-4fc7-ac4a-9b489e9e0977/v21 |