1,1'-[(3-aminopropyl)imino]diethanol
Everything that changed this flow. Back to the flow
2b50ac90-1219-4688-acc9-dd8aa7cd2c52
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 | 2 | consensus_match, strip_catalogue_altlabels | Removed 1 catalogue altLabel value(s): 'NSC 8172' (registry code) |
| cas_match_labels | 1 | consensus_match | group_key=1,1'-[(3-aminopropyl)imino]diethanol||dimension=Environmental > media=Water > water_body=Long-term; group_sources=['ec_inventory']; cas_sources={'4985-85-7': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-e42d7751a60398c8: {'4985-85-7': '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 soil > Emissions to agricultural soil |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to agricultural soil |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| prefLabel | 1 | bootstrap_labels | Bootstrapped prefLabel from legacy name field |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['4985-85-7']; matched_chebi_ids=[]; candidate_pubchem_cids=[21088]; selected_pubchem_cids=[21088]; 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
18| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 18,816 | bootstrap_labels | prefLabel | — | [{"@value":"1,1'-[(3-aminopropyl)imino]diethanol","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","… | Bootstrapped prefLabel from legacy name field |
| 18,817 | bootstrap_labels | name | 1,1'-[(3-aminopropyl)imino]diethanol | — | Purged legacy name field to enforce prefLabel usage |
| 18,818 | bootstrap_labels | synonyms | ["organic","n-(3-aminopropyl)iminodiethanol"] | [] | Removed legacy synonyms field in favor of structured labels |
| 65,730 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Ground","geography":"Agricultural"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to agricultural soil |
| 65,731 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-grou-agri | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to agricultural soil |
| 219,487 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 244,729 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H18N2O2"… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 244,730 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 244,731 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J34.795G","provenance":{"prov:wasGeneratedBy":"enrich_referenc… | Added references with provenance; cas_numbers=['4985-85-7']; matched_chebi_ids=[]; candidate_pubchem_cids=[21088]; selected_pubchem_cids=[21088]; 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 |
| 253,379 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H18N2O2"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H18N2O2"… | rdkit_pre_consensus from 'C(CN)CN(CCO)CCO'; added: molecular_mass, monoisotopic_mass |
| 258,014 | consensus_match | altLabel | [] | [{"@value":"(3-Aminopropyl)bis(2-hydroxyethyl)amine","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match"… | group_key=1,1'-[(3-aminopropyl)imino]diethanol||dimension=Environmental > media=Water > water_body=Long-term; cas=4985-85-7; added Common Chemistry CAS names as altLabel: (3-Aminopropyl)bis(2-hydroxyethyl)amine, (3-Aminopropyl)diethanolamine, 2,2′-[(3-Aminopropyl)imino]bis[ethanol], 2,2′-[(3-Aminopropyl)imino]diethanol, 2,2′-[(3-aminopropyl)azanediyl]bis(ethanol), 2-[(3-Aminopropyl)(2-hydroxyethyl)amino]ethan-1-ol, 2-[(3-Aminopropyl)(2-hydroxyethyl)amino]ethanol, 3-[<em>N</em>,<em>N</em>-(Diethanol)amino]propylamine, 3-[Bis(2-hydroxyethyl)amino]propylamine, <em>N</em>,<em>N</em>-Bis(2-hydroxyethyl)-1,3-diaminopropane, <em>N</em>,<em>N</em>-Bis(2-hydroxyethyl)-1,3-propanediamine, <em>N</em>,<em>N</em>-Bis(2-hydroxyethyl)-3-aminopropylamine, <em>N</em>,<em>N</em>-Di(2-hydroxyethyl)-1,3-propanediamine, <em>N</em>-(3-Aminopropyl)-3-azapentane-1,5-diol, <em>N</em>-(3-Aminopropyl)-<em>N</em>,<em>N</em>-bis(2-hydroxyethyl)amine, <em>N</em>-(3-Aminopropyl)-<em>N</em>,<em>N</em>-diethanolamine., <em>N</em>-(3-Aminopropyl)diethanolamine, <em>N</em>-3-Aminopropyl-<em>N</em>,<em>N</em>-di(2-hydroxyethyl)amine, Ethanol, 2,2′-[(3-aminopropyl)imino]bis-, Ethanol, 2,2′-[(3-aminopropyl)imino]di-, NSC 8172, [3-(Diethanolamino)propyl]amine; object_uuid=fo-e42d7751a60398c8 |
| 258,015 | consensus_match | cas_match_labels | — | {"4985-85-7":"exactMatch"} | group_key=1,1'-[(3-aminopropyl)imino]diethanol||dimension=Environmental > media=Water > water_body=Long-term; group_sources=['ec_inventory']; cas_sources={'4985-85-7': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-e42d7751a60398c8: {'4985-85-7': 'exactMatch'} |
| 278,605 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H18N2O2"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H18N2O2"… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '(3-Aminopropyl)bis(2-hydroxyethyl)amine' |
| 285,378 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H18N2O2"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H18N2O2"… | rdkit_post_consensus from 'NCCCN(CCO)CCO'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 291,062 | strip_catalogue_altlabels | altLabel | [{"@value":"(3-Aminopropyl)bis(2-hydroxyethyl)amine","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match"… | [{"@value":"(3-Aminopropyl)bis(2-hydroxyethyl)amine","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match"… | Removed 1 catalogue altLabel value(s): 'NSC 8172' (registry code) |
| 313,902 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/2b50ac90-1219-… | associations resolved on the elementary layer |
| 392,972 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H18N2O2"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H18N2O2"… | typed the way the ontology types it |
| 401,692 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
PROV-O trail
18 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/20260820T0738569779880000/18816 | prefLabel | ef:agent/bootstrap_labels | ef:flow/2b50ac90-1219-4688-acc9-dd8aa7cd2c52/v0 | ef:flow/2b50ac90-1219-4688-acc9-dd8aa7cd2c52/v1 |
| ef:activity/change/20260820T0738569779880000/18817 | name | ef:agent/bootstrap_labels | ef:flow/2b50ac90-1219-4688-acc9-dd8aa7cd2c52/v1 | ef:flow/2b50ac90-1219-4688-acc9-dd8aa7cd2c52/v2 |
| ef:activity/change/20260820T0738569779880000/18818 | synonyms | ef:agent/bootstrap_labels | ef:flow/2b50ac90-1219-4688-acc9-dd8aa7cd2c52/v2 | ef:flow/2b50ac90-1219-4688-acc9-dd8aa7cd2c52/v3 |
| ef:activity/change/20260820T0738569779880000/65730 | context | ef:agent/default_context_mapping | ef:flow/2b50ac90-1219-4688-acc9-dd8aa7cd2c52/v3 | ef:flow/2b50ac90-1219-4688-acc9-dd8aa7cd2c52/v4 |
| ef:activity/change/20260820T0738569779880000/65731 | context_iri | ef:agent/default_context_mapping | ef:flow/2b50ac90-1219-4688-acc9-dd8aa7cd2c52/v4 | ef:flow/2b50ac90-1219-4688-acc9-dd8aa7cd2c52/v5 |
| ef:activity/change/20260820T0738569779880000/219487 | unit_iri | ef:agent/unit_normalization | ef:flow/2b50ac90-1219-4688-acc9-dd8aa7cd2c52/v5 | ef:flow/2b50ac90-1219-4688-acc9-dd8aa7cd2c52/v6 |
| ef:activity/change/20260820T0738569779880000/244729 | properties | ef:agent/enrich_references | ef:flow/2b50ac90-1219-4688-acc9-dd8aa7cd2c52/v6 | ef:flow/2b50ac90-1219-4688-acc9-dd8aa7cd2c52/v7 |
| ef:activity/change/20260820T0738569779880000/244730 | skos_definition | ef:agent/enrich_references | ef:flow/2b50ac90-1219-4688-acc9-dd8aa7cd2c52/v7 | ef:flow/2b50ac90-1219-4688-acc9-dd8aa7cd2c52/v8 |
| ef:activity/change/20260820T0738569779880000/244731 | references | ef:agent/enrich_references | ef:flow/2b50ac90-1219-4688-acc9-dd8aa7cd2c52/v8 | ef:flow/2b50ac90-1219-4688-acc9-dd8aa7cd2c52/v9 |
| ef:activity/change/20260820T0738569779880000/253379 | properties | ef:agent/rdkit_pre_consensus | ef:flow/2b50ac90-1219-4688-acc9-dd8aa7cd2c52/v9 | ef:flow/2b50ac90-1219-4688-acc9-dd8aa7cd2c52/v10 |
| ef:activity/change/20260820T0738569779880000/258014 | altLabel | ef:agent/consensus_match | ef:flow/2b50ac90-1219-4688-acc9-dd8aa7cd2c52/v10 | ef:flow/2b50ac90-1219-4688-acc9-dd8aa7cd2c52/v11 |
| ef:activity/change/20260820T0738569779880000/258015 | cas_match_labels | ef:agent/consensus_match | ef:flow/2b50ac90-1219-4688-acc9-dd8aa7cd2c52/v11 | ef:flow/2b50ac90-1219-4688-acc9-dd8aa7cd2c52/v12 |
| ef:activity/change/20260820T0738569779880000/278605 | properties | ef:agent/opsin_iupac | ef:flow/2b50ac90-1219-4688-acc9-dd8aa7cd2c52/v12 | ef:flow/2b50ac90-1219-4688-acc9-dd8aa7cd2c52/v13 |
| ef:activity/change/20260820T0738569779880000/285378 | properties | ef:agent/rdkit_post_consensus | ef:flow/2b50ac90-1219-4688-acc9-dd8aa7cd2c52/v13 | ef:flow/2b50ac90-1219-4688-acc9-dd8aa7cd2c52/v14 |
| ef:activity/change/20260820T0738569779880000/291062 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/2b50ac90-1219-4688-acc9-dd8aa7cd2c52/v14 | ef:flow/2b50ac90-1219-4688-acc9-dd8aa7cd2c52/v15 |
| ef:activity/change/20260820T0738569779880000/313902 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/2b50ac90-1219-4688-acc9-dd8aa7cd2c52/v15 | ef:flow/2b50ac90-1219-4688-acc9-dd8aa7cd2c52/v16 |
| ef:activity/change/20260820T0738569779880000/392972 | properties | ef:agent/normalise_property_values | ef:flow/2b50ac90-1219-4688-acc9-dd8aa7cd2c52/v16 | ef:flow/2b50ac90-1219-4688-acc9-dd8aa7cd2c52/v17 |
| ef:activity/change/20260820T0738569779880000/401692 | types | ef:agent/link_flows_to_their_substance | ef:flow/2b50ac90-1219-4688-acc9-dd8aa7cd2c52/v17 | ef:flow/2b50ac90-1219-4688-acc9-dd8aa7cd2c52/v18 |