Trimethylenediamine
Everything that changed this flow. Back to the flow
b7c91377-886a-4d5c-a8b3-721c5c1d0ed5
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 1 catalogue altLabel value(s): 'NSC 8154' (registry 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=trimethylenediamine||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'109-76-2': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-fd582c19521be861: {'109-76-2': '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 air, unspecified (long-term) |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified (long-term) |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['109-76-2']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_15725']; candidate_pubchem_cids=[428, 167656, 254166, 4030255]; selected_pubchem_cids=[428]; 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 |
|---|---|---|---|---|---|
| 21,868 | bootstrap_labels | prefLabel | — | [{"@value":"trimethylenediamine","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttribute… | Bootstrapped prefLabel from legacy name field |
| 21,869 | bootstrap_labels | name | trimethylenediamine | — | Purged legacy name field to enforce prefLabel usage |
| 21,870 | bootstrap_labels | synonyms | ["(C10-C16)Alkylalkoxypropyleneamine propyleneamine","(C12-C18) Alkylalkoxypropyleneaminepropyleneamine","(C12-C18)Alky… | [] | Removed legacy synonyms field in favor of structured labels |
| 158,912 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Long-term"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified (long-term) |
| 158,913 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-lote | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified (long-term) |
| 220,340 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 226,039 | normalize_name_case | prefLabel | [{"@value":"trimethylenediamine","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttribute… | [{"@value":"Trimethylenediamine","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttribute… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 247,112 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H10N2"],… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 247,113 | enrich_references | skos_definition | — | [{"@value":"An alkane-α,ω-diamine comprising a propane skeleton with amino substituents at positions 1 and 3.","@langua… | Merged ChEBI/PubChem definitions into skos:definition |
| 247,114 | enrich_references | references | [] | [{"@id":"gmelin:1298","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedTo":"conse… | Added references with provenance; cas_numbers=['109-76-2']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_15725']; candidate_pubchem_cids=[428, 167656, 254166, 4030255]; selected_pubchem_cids=[428]; 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 |
| 254,065 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H10N2"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H10N2"],… | rdkit_pre_consensus from 'C(CN)CN'; added: monoisotopic_mass |
| 257,153 | chebi_altlabels | altLabel | [] | [{"@value":"1,3-diamino-n-propane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribut… | Added 10 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 273,003 | consensus_match | altLabel | [{"@value":"1,3-diamino-n-propane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribut… | [{"@value":"1,3-diamino-n-propane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribut… | group_key=trimethylenediamine||dimension=Environmental > media=Water > water_body=Surface water; cas=109-76-2; added Common Chemistry CAS names as altLabel: DAP, NSC 8154, α,ω-Propanediamine; object_uuid=fo-fd582c19521be861 |
| 273,004 | consensus_match | cas_match_labels | — | {"109-76-2":"exactMatch"} | group_key=trimethylenediamine||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'109-76-2': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-fd582c19521be861: {'109-76-2': 'exactMatch'} |
| 279,268 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H10N2"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H10N2"],… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Trimethylenediamine' |
| 286,131 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H10N2"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H10N2"],… | rdkit_post_consensus from 'NCCCN'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 291,537 | strip_catalogue_altlabels | altLabel | [{"@value":"1,3-diamino-n-propane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribut… | [{"@value":"1,3-diamino-n-propane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribut… | Removed 1 catalogue altLabel value(s): 'NSC 8154' (registry code) |
| 360,478 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/b7c91377-886a-… | associations resolved on the elementary layer |
| 393,657 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H10N2"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H10N2"],… | typed the way the ontology types it |
| 402,778 | 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/20260821T1122181958110000/21868 | prefLabel | ef:agent/bootstrap_labels | ef:flow/b7c91377-886a-4d5c-a8b3-721c5c1d0ed5/v0 | ef:flow/b7c91377-886a-4d5c-a8b3-721c5c1d0ed5/v1 |
| ef:activity/change/20260821T1122181958110000/21869 | name | ef:agent/bootstrap_labels | ef:flow/b7c91377-886a-4d5c-a8b3-721c5c1d0ed5/v1 | ef:flow/b7c91377-886a-4d5c-a8b3-721c5c1d0ed5/v2 |
| ef:activity/change/20260821T1122181958110000/21870 | synonyms | ef:agent/bootstrap_labels | ef:flow/b7c91377-886a-4d5c-a8b3-721c5c1d0ed5/v2 | ef:flow/b7c91377-886a-4d5c-a8b3-721c5c1d0ed5/v3 |
| ef:activity/change/20260821T1122181958110000/158912 | context | ef:agent/default_context_mapping | ef:flow/b7c91377-886a-4d5c-a8b3-721c5c1d0ed5/v3 | ef:flow/b7c91377-886a-4d5c-a8b3-721c5c1d0ed5/v4 |
| ef:activity/change/20260821T1122181958110000/158913 | context_iri | ef:agent/default_context_mapping | ef:flow/b7c91377-886a-4d5c-a8b3-721c5c1d0ed5/v4 | ef:flow/b7c91377-886a-4d5c-a8b3-721c5c1d0ed5/v5 |
| ef:activity/change/20260821T1122181958110000/220340 | unit_iri | ef:agent/unit_normalization | ef:flow/b7c91377-886a-4d5c-a8b3-721c5c1d0ed5/v5 | ef:flow/b7c91377-886a-4d5c-a8b3-721c5c1d0ed5/v6 |
| ef:activity/change/20260821T1122181958110000/226039 | prefLabel | ef:agent/normalize_name_case | ef:flow/b7c91377-886a-4d5c-a8b3-721c5c1d0ed5/v6 | ef:flow/b7c91377-886a-4d5c-a8b3-721c5c1d0ed5/v7 |
| ef:activity/change/20260821T1122181958110000/247112 | properties | ef:agent/enrich_references | ef:flow/b7c91377-886a-4d5c-a8b3-721c5c1d0ed5/v7 | ef:flow/b7c91377-886a-4d5c-a8b3-721c5c1d0ed5/v8 |
| ef:activity/change/20260821T1122181958110000/247113 | skos_definition | ef:agent/enrich_references | ef:flow/b7c91377-886a-4d5c-a8b3-721c5c1d0ed5/v8 | ef:flow/b7c91377-886a-4d5c-a8b3-721c5c1d0ed5/v9 |
| ef:activity/change/20260821T1122181958110000/247114 | references | ef:agent/enrich_references | ef:flow/b7c91377-886a-4d5c-a8b3-721c5c1d0ed5/v9 | ef:flow/b7c91377-886a-4d5c-a8b3-721c5c1d0ed5/v10 |
| ef:activity/change/20260821T1122181958110000/254065 | properties | ef:agent/rdkit_pre_consensus | ef:flow/b7c91377-886a-4d5c-a8b3-721c5c1d0ed5/v10 | ef:flow/b7c91377-886a-4d5c-a8b3-721c5c1d0ed5/v11 |
| ef:activity/change/20260821T1122181958110000/257153 | altLabel | ef:agent/chebi_altlabels | ef:flow/b7c91377-886a-4d5c-a8b3-721c5c1d0ed5/v11 | ef:flow/b7c91377-886a-4d5c-a8b3-721c5c1d0ed5/v12 |
| ef:activity/change/20260821T1122181958110000/273003 | altLabel | ef:agent/consensus_match | ef:flow/b7c91377-886a-4d5c-a8b3-721c5c1d0ed5/v12 | ef:flow/b7c91377-886a-4d5c-a8b3-721c5c1d0ed5/v13 |
| ef:activity/change/20260821T1122181958110000/273004 | cas_match_labels | ef:agent/consensus_match | ef:flow/b7c91377-886a-4d5c-a8b3-721c5c1d0ed5/v13 | ef:flow/b7c91377-886a-4d5c-a8b3-721c5c1d0ed5/v14 |
| ef:activity/change/20260821T1122181958110000/279268 | properties | ef:agent/opsin_iupac | ef:flow/b7c91377-886a-4d5c-a8b3-721c5c1d0ed5/v14 | ef:flow/b7c91377-886a-4d5c-a8b3-721c5c1d0ed5/v15 |
| ef:activity/change/20260821T1122181958110000/286131 | properties | ef:agent/rdkit_post_consensus | ef:flow/b7c91377-886a-4d5c-a8b3-721c5c1d0ed5/v15 | ef:flow/b7c91377-886a-4d5c-a8b3-721c5c1d0ed5/v16 |
| ef:activity/change/20260821T1122181958110000/291537 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/b7c91377-886a-4d5c-a8b3-721c5c1d0ed5/v16 | ef:flow/b7c91377-886a-4d5c-a8b3-721c5c1d0ed5/v17 |
| ef:activity/change/20260821T1122181958110000/360478 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/b7c91377-886a-4d5c-a8b3-721c5c1d0ed5/v17 | ef:flow/b7c91377-886a-4d5c-a8b3-721c5c1d0ed5/v18 |
| ef:activity/change/20260821T1122181958110000/393657 | properties | ef:agent/normalise_property_values | ef:flow/b7c91377-886a-4d5c-a8b3-721c5c1d0ed5/v18 | ef:flow/b7c91377-886a-4d5c-a8b3-721c5c1d0ed5/v19 |
| ef:activity/change/20260821T1122181958110000/402778 | types | ef:agent/link_flows_to_their_substance | ef:flow/b7c91377-886a-4d5c-a8b3-721c5c1d0ed5/v19 | ef:flow/b7c91377-886a-4d5c-a8b3-721c5c1d0ed5/v20 |