N-(3-aminopropyl)-n-dodecylpropane-1,3-diamine/n
Everything that changed this flow. Back to the flow
b7ed313e-dbcc-4a7a-9255-0cf91226f234
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 2 catalogue altLabel value(s): 'Lonzabac 1230' (trade name), 'RC 5637' (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=n-(3-aminopropyl)-n-dodecylpropane-1,3-diamine/n||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['ec_inventory']; cas_sources={'2372-82-9': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-6a0b589396e2de1f: {'2372-82-9': '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 water > Emissions to water, unspecified |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['2372-82-9']; matched_chebi_ids=[]; candidate_pubchem_cids=[75407, 233495]; selected_pubchem_cids=[75407]; 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
19| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 563 | bootstrap_labels | prefLabel | — | [{"@value":"n-(3-aminopropyl)-n-dodecylpropane-1,3-diamine/n","@language":"en","source":{"prov:wasGeneratedBy":"bootstr… | Bootstrapped prefLabel from legacy name field |
| 564 | bootstrap_labels | name | n-(3-aminopropyl)-n-dodecylpropane-1,3-diamine/n | — | Purged legacy name field to enforce prefLabel usage |
| 565 | bootstrap_labels | synonyms | ["organic","n-(3-aminopropyl)-n-dodecylpropane-1,3-diamine","n-(3-aminopropyl)-n-dodecylpropane-1,3-diamine(diamine)","… | [] | Removed legacy synonyms field in favor of structured labels |
| 158,988 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified |
| 158,989 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified |
| 213,527 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 221,226 | normalize_name_case | prefLabel | [{"@value":"n-(3-aminopropyl)-n-dodecylpropane-1,3-diamine/n","@language":"en","source":{"prov:wasGeneratedBy":"bootstr… | [{"@value":"N-(3-aminopropyl)-n-dodecylpropane-1,3-diamine/n","@language":"en","source":{"prov:wasGeneratedBy":"bootstr… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 227,710 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C18H41N3"]… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 227,711 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 227,712 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J213.232J","provenance":{"prov:wasGeneratedBy":"enrich_referen… | Added references with provenance; cas_numbers=['2372-82-9']; matched_chebi_ids=[]; candidate_pubchem_cids=[75407, 233495]; selected_pubchem_cids=[75407]; 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 |
| 248,467 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C18H41N3"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C18H41N3"]… | rdkit_pre_consensus from 'CCCCCCCCCCCCN(CCCN)CCCN'; added: molecular_mass, monoisotopic_mass |
| 269,337 | consensus_match | altLabel | [] | [{"@value":"1,3-Propanediamine, <em>N</em>-(3-aminopropyl)-<em>N</em>-dodecyl-","@language":"en","source":{"prov:wasGen… | group_key=n-(3-aminopropyl)-n-dodecylpropane-1,3-diamine/n||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=2372-82-9; added Common Chemistry CAS names as altLabel: 1,3-Propanediamine, <em>N</em>-(3-aminopropyl)-<em>N</em>-dodecyl-, 1,3-Propanediamine, <em>N</em><sup>1</sup>-(3-aminopropyl)-<em>N</em><sup>1</sup>-dodecyl-, <em>N</em>,<em>N</em>-Bis(3-aminopropyl)dodecylamine, <em>N</em>,<em>N</em>-Bis(3-aminopropyl)laurylamine, <em>N</em>-(3-Aminopropyl)-<em>N</em>-dodecylpropane-1,3-diamine, <em>N</em><sup>1</sup>-(3-Aminopropyl)-<em>N</em><sup>1</sup>-dodecyl-1,3-propanediamine, Bis(3-aminopropyl)dodecylamine, Dodecylamine, <em>N</em>,<em>N</em>-bis(3-aminopropyl)-, Grotan BA 21, Laurylamine dipropylenediamine, Lonzabac 12, Lonzabac 12.100, Lonzabac 12.30, Lonzabac 1230, Mistral, RC 5637, Triameen Y 12, Triameen Y 12D, Triamine Y 12D; object_uuid=fo-6a0b589396e2de1f |
| 269,338 | consensus_match | cas_match_labels | — | {"2372-82-9":"exactMatch"} | group_key=n-(3-aminopropyl)-n-dodecylpropane-1,3-diamine/n||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['ec_inventory']; cas_sources={'2372-82-9': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-6a0b589396e2de1f: {'2372-82-9': 'exactMatch'} |
| 273,611 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C18H41N3"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C18H41N3"]… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '1,3-Propanediamine, N-(3-aminopropyl)-N-dodecyl-' |
| 279,972 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C18H41N3"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C18H41N3"]… | rdkit_post_consensus from 'CCCCCCCCCCCCN(CCCN)CCCN'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 287,379 | strip_catalogue_altlabels | altLabel | [{"@value":"1,3-Propanediamine, <em>N</em>-(3-aminopropyl)-<em>N</em>-dodecyl-","@language":"en","source":{"prov:wasGen… | [{"@value":"1,3-Propanediamine, N-(3-aminopropyl)-N-dodecyl-","@language":"en","source":{"prov:wasGeneratedBy":"consens… | Removed 2 catalogue altLabel value(s): 'Lonzabac 1230' (trade name), 'RC 5637' (grade code) |
| 360,538 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/b7ed313e-dbcc-… | associations resolved on the elementary layer |
| 387,887 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C18H41N3"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C18H41N3"]… | typed the way the ontology types it |
| 394,411 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
PROV-O trail
19 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/20260820T1416470405690000/563 | prefLabel | ef:agent/bootstrap_labels | ef:flow/b7ed313e-dbcc-4a7a-9255-0cf91226f234/v0 | ef:flow/b7ed313e-dbcc-4a7a-9255-0cf91226f234/v1 |
| ef:activity/change/20260820T1416470405690000/564 | name | ef:agent/bootstrap_labels | ef:flow/b7ed313e-dbcc-4a7a-9255-0cf91226f234/v1 | ef:flow/b7ed313e-dbcc-4a7a-9255-0cf91226f234/v2 |
| ef:activity/change/20260820T1416470405690000/565 | synonyms | ef:agent/bootstrap_labels | ef:flow/b7ed313e-dbcc-4a7a-9255-0cf91226f234/v2 | ef:flow/b7ed313e-dbcc-4a7a-9255-0cf91226f234/v3 |
| ef:activity/change/20260820T1416470405690000/158988 | context | ef:agent/default_context_mapping | ef:flow/b7ed313e-dbcc-4a7a-9255-0cf91226f234/v3 | ef:flow/b7ed313e-dbcc-4a7a-9255-0cf91226f234/v4 |
| ef:activity/change/20260820T1416470405690000/158989 | context_iri | ef:agent/default_context_mapping | ef:flow/b7ed313e-dbcc-4a7a-9255-0cf91226f234/v4 | ef:flow/b7ed313e-dbcc-4a7a-9255-0cf91226f234/v5 |
| ef:activity/change/20260820T1416470405690000/213527 | unit_iri | ef:agent/unit_normalization | ef:flow/b7ed313e-dbcc-4a7a-9255-0cf91226f234/v5 | ef:flow/b7ed313e-dbcc-4a7a-9255-0cf91226f234/v6 |
| ef:activity/change/20260820T1416470405690000/221226 | prefLabel | ef:agent/normalize_name_case | ef:flow/b7ed313e-dbcc-4a7a-9255-0cf91226f234/v6 | ef:flow/b7ed313e-dbcc-4a7a-9255-0cf91226f234/v7 |
| ef:activity/change/20260820T1416470405690000/227710 | properties | ef:agent/enrich_references | ef:flow/b7ed313e-dbcc-4a7a-9255-0cf91226f234/v7 | ef:flow/b7ed313e-dbcc-4a7a-9255-0cf91226f234/v8 |
| ef:activity/change/20260820T1416470405690000/227711 | skos_definition | ef:agent/enrich_references | ef:flow/b7ed313e-dbcc-4a7a-9255-0cf91226f234/v8 | ef:flow/b7ed313e-dbcc-4a7a-9255-0cf91226f234/v9 |
| ef:activity/change/20260820T1416470405690000/227712 | references | ef:agent/enrich_references | ef:flow/b7ed313e-dbcc-4a7a-9255-0cf91226f234/v9 | ef:flow/b7ed313e-dbcc-4a7a-9255-0cf91226f234/v10 |
| ef:activity/change/20260820T1416470405690000/248467 | properties | ef:agent/rdkit_pre_consensus | ef:flow/b7ed313e-dbcc-4a7a-9255-0cf91226f234/v10 | ef:flow/b7ed313e-dbcc-4a7a-9255-0cf91226f234/v11 |
| ef:activity/change/20260820T1416470405690000/269337 | altLabel | ef:agent/consensus_match | ef:flow/b7ed313e-dbcc-4a7a-9255-0cf91226f234/v11 | ef:flow/b7ed313e-dbcc-4a7a-9255-0cf91226f234/v12 |
| ef:activity/change/20260820T1416470405690000/269338 | cas_match_labels | ef:agent/consensus_match | ef:flow/b7ed313e-dbcc-4a7a-9255-0cf91226f234/v12 | ef:flow/b7ed313e-dbcc-4a7a-9255-0cf91226f234/v13 |
| ef:activity/change/20260820T1416470405690000/273611 | properties | ef:agent/opsin_iupac | ef:flow/b7ed313e-dbcc-4a7a-9255-0cf91226f234/v13 | ef:flow/b7ed313e-dbcc-4a7a-9255-0cf91226f234/v14 |
| ef:activity/change/20260820T1416470405690000/279972 | properties | ef:agent/rdkit_post_consensus | ef:flow/b7ed313e-dbcc-4a7a-9255-0cf91226f234/v14 | ef:flow/b7ed313e-dbcc-4a7a-9255-0cf91226f234/v15 |
| ef:activity/change/20260820T1416470405690000/287379 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/b7ed313e-dbcc-4a7a-9255-0cf91226f234/v15 | ef:flow/b7ed313e-dbcc-4a7a-9255-0cf91226f234/v16 |
| ef:activity/change/20260820T1416470405690000/360538 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/b7ed313e-dbcc-4a7a-9255-0cf91226f234/v16 | ef:flow/b7ed313e-dbcc-4a7a-9255-0cf91226f234/v17 |
| ef:activity/change/20260820T1416470405690000/387887 | properties | ef:agent/normalise_property_values | ef:flow/b7ed313e-dbcc-4a7a-9255-0cf91226f234/v17 | ef:flow/b7ed313e-dbcc-4a7a-9255-0cf91226f234/v18 |
| ef:activity/change/20260820T1416470405690000/394411 | types | ef:agent/link_flows_to_their_substance | ef:flow/b7ed313e-dbcc-4a7a-9255-0cf91226f234/v18 | ef:flow/b7ed313e-dbcc-4a7a-9255-0cf91226f234/v19 |