Bis(3-aminopropyl)amine
Everything that changed this flow. Back to the flow
92cb8b52-a7e0-4c59-b303-ee6696fd7a86
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 3 catalogue altLabel value(s): 'EC 110' (grade code), 'NSC 7773' (registry code), 'P 2 (hardener)' (grade code) |
| prefLabel | 3 | bootstrap_labels, consensus_match, normalize_name_case | cas=56-18-8; cc_chebi_agreed_name='Bis(3-aminopropyl)amine'; object_uuid=fo-75d337bc17a95473 |
| cas_match_labels | 1 | consensus_match | group_key=n-(3-aminopropyl)propane-1,3-diamine||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'56-18-8': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-75d337bc17a95473: {'56-18-8': '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 urban air close to ground |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to urban air close to ground |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['56-18-8']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_16841']; candidate_pubchem_cids=[5942, 95079, 3016427, 6991998, 13932764, 53400484]; selected_pubchem_cids=[5942]; 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
22| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 16,601 | bootstrap_labels | prefLabel | — | [{"@value":"n-(3-aminopropyl)propane-1,3-diamine","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","… | Bootstrapped prefLabel from legacy name field |
| 16,602 | bootstrap_labels | name | n-(3-aminopropyl)propane-1,3-diamine | — | Purged legacy name field to enforce prefLabel usage |
| 16,603 | bootstrap_labels | synonyms | ["organic","3,3'","-iminodi(propylamine)","dipropylenetriamine"] | [] | Removed legacy synonyms field in favor of structured labels |
| 136,928 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Ground level","population_density":"Urban (>1000 people/square mil… | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to urban air close to ground |
| 136,929 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-grle-ur10pesq | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to urban air close to ground |
| 218,787 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 224,896 | normalize_name_case | prefLabel | [{"@value":"n-(3-aminopropyl)propane-1,3-diamine","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","… | [{"@value":"N-(3-aminopropyl)propane-1,3-diamine","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 242,788 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H17N3"],… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 242,789 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 242,790 | enrich_references | references | [] | [{"@id":"beilstein:1071254","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedTo":… | Added references with provenance; cas_numbers=['56-18-8']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_16841']; candidate_pubchem_cids=[5942, 95079, 3016427, 6991998, 13932764, 53400484]; selected_pubchem_cids=[5942]; 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 |
| 252,817 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H17N3"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H17N3"],… | rdkit_pre_consensus from 'C(CN)CNCCCN'; added: monoisotopic_mass |
| 256,571 | chebi_altlabels | altLabel | [] | [{"@value":"1,7-diamino-4-azaheptane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttri… | Added 20 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 269,321 | consensus_match | prefLabel | [{"@value":"N-(3-aminopropyl)propane-1,3-diamine","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","… | [{"@value":"Bis(3-aminopropyl)amine","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttrib… | cas=56-18-8; cc_chebi_agreed_name='Bis(3-aminopropyl)amine'; object_uuid=fo-75d337bc17a95473 |
| 269,322 | consensus_match | altLabel | [{"@value":"1,7-diamino-4-azaheptane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttri… | [{"@value":"1,7-diamino-4-azaheptane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttri… | cas=56-18-8; added original name as altLabel after CC/ChEBI rename; object_uuid=fo-75d337bc17a95473 |
| 269,323 | consensus_match | altLabel | [{"@value":"1,7-diamino-4-azaheptane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttri… | [{"@value":"1,7-diamino-4-azaheptane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttri… | group_key=n-(3-aminopropyl)propane-1,3-diamine||dimension=Environmental > media=Ground > geography=Agricultural; cas=56-18-8; added Common Chemistry CAS names as altLabel: 1,3-Propanediamine, <em>N</em>-(3-aminopropyl)-, 1,3-Propanediamine, <em>N</em><sup>1</sup>-(3-aminopropyl)-, 1,5,9-Triazanonane, 1-Propanamine, 3,3′-iminobis-, 3,3′-Diaminodipropylamine, 3,3′-Iminobis(propylamine), 3,3′-Iminodi(propylamine), 4-Azaheptamethylenediamine, 82: PN: WO2025098440 SEQID: 172 sequence, <em>N</em>,<em>N</em>-Bis(3-aminopropyl)amine, <em>N</em><sup>1</sup>-(3-Aminopropyl)-1,3-propanediamine, Baxxodur EC 110, Caldine, Dipropylamine, 3,3′-diamino-, EC 110, IBDA, N1-(3-Aminopropyl)propan-1,3-diamine, NSC 7773, P 2 (hardener); object_uuid=fo-75d337bc17a95473 |
| 269,324 | consensus_match | cas_match_labels | — | {"56-18-8":"exactMatch"} | group_key=n-(3-aminopropyl)propane-1,3-diamine||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'56-18-8': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-75d337bc17a95473: {'56-18-8': 'exactMatch'} |
| 278,018 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H17N3"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H17N3"],… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Bis(3-aminopropyl)amine' |
| 284,746 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H17N3"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H17N3"],… | rdkit_post_consensus from 'NCCCNCCCN'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 290,625 | strip_catalogue_altlabels | altLabel | [{"@value":"1,7-diamino-4-azaheptane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttri… | [{"@value":"1,7-diamino-4-azaheptane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttri… | Removed 3 catalogue altLabel value(s): 'EC 110' (grade code), 'NSC 7773' (registry code), 'P 2 (hardener)' (grade code) |
| 349,460 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/92cb8b52-a7e0-… | associations resolved on the elementary layer |
| 392,374 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H17N3"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H17N3"],… | typed the way the ontology types it |
| 400,813 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
PROV-O trail
22 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/20260822T0600486828500000/16601 | prefLabel | ef:agent/bootstrap_labels | ef:flow/92cb8b52-a7e0-4c59-b303-ee6696fd7a86/v0 | ef:flow/92cb8b52-a7e0-4c59-b303-ee6696fd7a86/v1 |
| ef:activity/change/20260822T0600486828500000/16602 | name | ef:agent/bootstrap_labels | ef:flow/92cb8b52-a7e0-4c59-b303-ee6696fd7a86/v1 | ef:flow/92cb8b52-a7e0-4c59-b303-ee6696fd7a86/v2 |
| ef:activity/change/20260822T0600486828500000/16603 | synonyms | ef:agent/bootstrap_labels | ef:flow/92cb8b52-a7e0-4c59-b303-ee6696fd7a86/v2 | ef:flow/92cb8b52-a7e0-4c59-b303-ee6696fd7a86/v3 |
| ef:activity/change/20260822T0600486828500000/136928 | context | ef:agent/default_context_mapping | ef:flow/92cb8b52-a7e0-4c59-b303-ee6696fd7a86/v3 | ef:flow/92cb8b52-a7e0-4c59-b303-ee6696fd7a86/v4 |
| ef:activity/change/20260822T0600486828500000/136929 | context_iri | ef:agent/default_context_mapping | ef:flow/92cb8b52-a7e0-4c59-b303-ee6696fd7a86/v4 | ef:flow/92cb8b52-a7e0-4c59-b303-ee6696fd7a86/v5 |
| ef:activity/change/20260822T0600486828500000/218787 | unit_iri | ef:agent/unit_normalization | ef:flow/92cb8b52-a7e0-4c59-b303-ee6696fd7a86/v5 | ef:flow/92cb8b52-a7e0-4c59-b303-ee6696fd7a86/v6 |
| ef:activity/change/20260822T0600486828500000/224896 | prefLabel | ef:agent/normalize_name_case | ef:flow/92cb8b52-a7e0-4c59-b303-ee6696fd7a86/v6 | ef:flow/92cb8b52-a7e0-4c59-b303-ee6696fd7a86/v7 |
| ef:activity/change/20260822T0600486828500000/242788 | properties | ef:agent/enrich_references | ef:flow/92cb8b52-a7e0-4c59-b303-ee6696fd7a86/v7 | ef:flow/92cb8b52-a7e0-4c59-b303-ee6696fd7a86/v8 |
| ef:activity/change/20260822T0600486828500000/242789 | skos_definition | ef:agent/enrich_references | ef:flow/92cb8b52-a7e0-4c59-b303-ee6696fd7a86/v8 | ef:flow/92cb8b52-a7e0-4c59-b303-ee6696fd7a86/v9 |
| ef:activity/change/20260822T0600486828500000/242790 | references | ef:agent/enrich_references | ef:flow/92cb8b52-a7e0-4c59-b303-ee6696fd7a86/v9 | ef:flow/92cb8b52-a7e0-4c59-b303-ee6696fd7a86/v10 |
| ef:activity/change/20260822T0600486828500000/252817 | properties | ef:agent/rdkit_pre_consensus | ef:flow/92cb8b52-a7e0-4c59-b303-ee6696fd7a86/v10 | ef:flow/92cb8b52-a7e0-4c59-b303-ee6696fd7a86/v11 |
| ef:activity/change/20260822T0600486828500000/256571 | altLabel | ef:agent/chebi_altlabels | ef:flow/92cb8b52-a7e0-4c59-b303-ee6696fd7a86/v11 | ef:flow/92cb8b52-a7e0-4c59-b303-ee6696fd7a86/v12 |
| ef:activity/change/20260822T0600486828500000/269321 | prefLabel | ef:agent/consensus_match | ef:flow/92cb8b52-a7e0-4c59-b303-ee6696fd7a86/v12 | ef:flow/92cb8b52-a7e0-4c59-b303-ee6696fd7a86/v13 |
| ef:activity/change/20260822T0600486828500000/269322 | altLabel | ef:agent/consensus_match | ef:flow/92cb8b52-a7e0-4c59-b303-ee6696fd7a86/v13 | ef:flow/92cb8b52-a7e0-4c59-b303-ee6696fd7a86/v14 |
| ef:activity/change/20260822T0600486828500000/269323 | altLabel | ef:agent/consensus_match | ef:flow/92cb8b52-a7e0-4c59-b303-ee6696fd7a86/v14 | ef:flow/92cb8b52-a7e0-4c59-b303-ee6696fd7a86/v15 |
| ef:activity/change/20260822T0600486828500000/269324 | cas_match_labels | ef:agent/consensus_match | ef:flow/92cb8b52-a7e0-4c59-b303-ee6696fd7a86/v15 | ef:flow/92cb8b52-a7e0-4c59-b303-ee6696fd7a86/v16 |
| ef:activity/change/20260822T0600486828500000/278018 | properties | ef:agent/opsin_iupac | ef:flow/92cb8b52-a7e0-4c59-b303-ee6696fd7a86/v16 | ef:flow/92cb8b52-a7e0-4c59-b303-ee6696fd7a86/v17 |
| ef:activity/change/20260822T0600486828500000/284746 | properties | ef:agent/rdkit_post_consensus | ef:flow/92cb8b52-a7e0-4c59-b303-ee6696fd7a86/v17 | ef:flow/92cb8b52-a7e0-4c59-b303-ee6696fd7a86/v18 |
| ef:activity/change/20260822T0600486828500000/290625 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/92cb8b52-a7e0-4c59-b303-ee6696fd7a86/v18 | ef:flow/92cb8b52-a7e0-4c59-b303-ee6696fd7a86/v19 |
| ef:activity/change/20260822T0600486828500000/349460 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/92cb8b52-a7e0-4c59-b303-ee6696fd7a86/v19 | ef:flow/92cb8b52-a7e0-4c59-b303-ee6696fd7a86/v20 |
| ef:activity/change/20260822T0600486828500000/392374 | properties | ef:agent/normalise_property_values | ef:flow/92cb8b52-a7e0-4c59-b303-ee6696fd7a86/v20 | ef:flow/92cb8b52-a7e0-4c59-b303-ee6696fd7a86/v21 |
| ef:activity/change/20260822T0600486828500000/400813 | types | ef:agent/link_flows_to_their_substance | ef:flow/92cb8b52-a7e0-4c59-b303-ee6696fd7a86/v21 | ef:flow/92cb8b52-a7e0-4c59-b303-ee6696fd7a86/v22 |