1,3,5-tris(6-isocyanatohexyl)-1,3,5-triazinane-2,4,6-trione
Everything that changed this flow. Back to the flow
f6bbfcc7-9d81-4ac4-8a55-e3c1a1d8e14b
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): 'HT 101H' (grade code) |
| cas_match_labels | 1 | consensus_match | group_key=1,3,5-tris(6-isocyanatohexyl)-1,3,5-triazinane-2,4,6-trione||dimension=Environmental > media=Air > strata=Long-term; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'3779-63-3': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-a6576bb9395bf1f0: {'3779-63-3': '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=['3779-63-3']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_59098']; candidate_pubchem_cids=[77411, 22507646]; selected_pubchem_cids=[77411]; 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 |
|---|---|---|---|---|---|
| 6,359 | bootstrap_labels | prefLabel | — | [{"@value":"1,3,5-tris(6-isocyanatohexyl)-1,3,5-triazinane-2,4,6-trione","@language":"en","source":{"prov:wasGeneratedB… | Bootstrapped prefLabel from legacy name field |
| 6,360 | bootstrap_labels | name | 1,3,5-tris(6-isocyanatohexyl)-1,3,5-triazinane-2,4,6-trione | — | Purged legacy name field to enforce prefLabel usage |
| 6,361 | bootstrap_labels | synonyms | ["organic","(2,4,6-trioxotriazine-1,3,5(2h,4h,6h)-triyl)tris(hexamethylene)isocyanate"] | [] | Removed legacy synonyms field in favor of structured labels |
| 198,042 | 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 |
| 198,043 | 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 |
| 215,464 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 233,293 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C24H36N6O6… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 233,294 | enrich_references | skos_definition | — | [{"@value":"A triisocyanate being a derivative of isocyanuric acid with a 6-isocyanatohexyl group at each of the 1-, 3-… | Merged ChEBI/PubChem definitions into skos:definition |
| 233,295 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J217.678E","provenance":{"prov:wasGeneratedBy":"enrich_referen… | Added references with provenance; cas_numbers=['3779-63-3']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_59098']; candidate_pubchem_cids=[77411, 22507646]; selected_pubchem_cids=[77411]; 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 |
| 250,078 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C24H36N6O6… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C24H36N6O6… | rdkit_pre_consensus from 'C(CCCN1C(=O)N(C(=O)N(C1=O)CCCCCCN=C=O)CCCCCCN=C=O)CCN=C=O'; added: monoisotopic_mass |
| 255,166 | chebi_altlabels | altLabel | [] | [{"@value":"(2,4,6-Trioxotriazine-1,3,5(2H,4H,6H)-triyl)tris(hexamethylene) isocyanate","@language":"en","source":{"pro… | Added 10 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 258,488 | consensus_match | altLabel | [{"@value":"(2,4,6-Trioxotriazine-1,3,5(2H,4H,6H)-triyl)tris(hexamethylene) isocyanate","@language":"en","source":{"pro… | [{"@value":"(2,4,6-Trioxotriazine-1,3,5(2H,4H,6H)-triyl)tris(hexamethylene) isocyanate","@language":"en","source":{"pro… | group_key=1,3,5-tris(6-isocyanatohexyl)-1,3,5-triazinane-2,4,6-trione||dimension=Environmental > media=Air > strata=Long-term; cas=3779-63-3; added Common Chemistry CAS names as altLabel: 1,3,5-Triazine-2,4,6(1<em>H</em>,3<em>H</em>,5<em>H</em>)-trione, 1,3,5-tris(6-isocyanatohexyl)-, 1,3,5-Tris(6-isocyanatohexyl)-1,3,5-triazine-2,4,6(1<em>H</em>,3<em>H</em>,5<em>H</em>)-trione, 1,3,5-Tris(6-isocyanatohexyl)-1,3,5-triazine-2,4,6-trione, 1,6-Hexamethylene diisocyanate isocyanurate trimer, <em>N</em>,<em>N</em>′,<em>N</em>′′-Tris(6-isocyanatohexyl)isocyanurate, Desmodur Ultra N 3800, HDI cyclic trimer, HDI isocyanurate trimer, HDI trimer, HMDI cyclic trimer, HMDI isocyanurate trimer, HT 101H, Hexamethylene diisocyanate cyclic trimer, Hexamethylene diisocyanate isocyanurate trimer, Hexamethylene diisocyanate trimer, Isocyanic acid, (2,4,6-trioxo-<em>s</em>-triazine-1,3,5(2<em>H</em>,4<em>H</em>,6<em>H</em>)-triyl)tris(hexamethylene) ester, Isocyanic acid, (trioxo-<em>s</em>-triazine-1,3,5(2<em>H</em>,4<em>H</em>,6<em>H</em>)-triyl)tris(hexamethylene) ester, Isocyanurate trimer of hexamethylenediisocyanate, Isocyanurate-based hexamethylene diisocyanate trimer, Tri-HT 100, Tris(6-isocyanatohexyl)isocyanurate, Tris(hexamethylene triisocyanate); object_uuid=fo-a6576bb9395bf1f0 |
| 258,489 | consensus_match | cas_match_labels | — | {"3779-63-3":"exactMatch"} | group_key=1,3,5-tris(6-isocyanatohexyl)-1,3,5-triazinane-2,4,6-trione||dimension=Environmental > media=Air > strata=Long-term; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'3779-63-3': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-a6576bb9395bf1f0: {'3779-63-3': 'exactMatch'} |
| 275,215 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C24H36N6O6… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C24H36N6O6… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '1,3,5-tris(6-isocyanatohexyl)-1,3,5-triazinane-2,4,6-trione' |
| 281,711 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C24H36N6O6… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C24H36N6O6… | rdkit_post_consensus from 'O=C=NCCCCCCn1c(=O)n(CCCCCCN=C=O)c(=O)n(CCCCCCN=C=O)c1=O'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 288,543 | strip_catalogue_altlabels | altLabel | [{"@value":"(2,4,6-Trioxotriazine-1,3,5(2H,4H,6H)-triyl)tris(hexamethylene) isocyanate","@language":"en","source":{"pro… | [{"@value":"(2,4,6-Trioxotriazine-1,3,5(2H,4H,6H)-triyl)tris(hexamethylene) isocyanate","@language":"en","source":{"pro… | Removed 1 catalogue altLabel value(s): 'HT 101H' (grade code) |
| 380,048 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/f6bbfcc7-9d81-… | associations resolved on the elementary layer |
| 389,511 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C24H36N6O6… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C24H36N6O6… | typed the way the ontology types it |
| 396,698 | 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/20260820T1812399309960000/6359 | prefLabel | ef:agent/bootstrap_labels | ef:flow/f6bbfcc7-9d81-4ac4-8a55-e3c1a1d8e14b/v0 | ef:flow/f6bbfcc7-9d81-4ac4-8a55-e3c1a1d8e14b/v1 |
| ef:activity/change/20260820T1812399309960000/6360 | name | ef:agent/bootstrap_labels | ef:flow/f6bbfcc7-9d81-4ac4-8a55-e3c1a1d8e14b/v1 | ef:flow/f6bbfcc7-9d81-4ac4-8a55-e3c1a1d8e14b/v2 |
| ef:activity/change/20260820T1812399309960000/6361 | synonyms | ef:agent/bootstrap_labels | ef:flow/f6bbfcc7-9d81-4ac4-8a55-e3c1a1d8e14b/v2 | ef:flow/f6bbfcc7-9d81-4ac4-8a55-e3c1a1d8e14b/v3 |
| ef:activity/change/20260820T1812399309960000/198042 | context | ef:agent/default_context_mapping | ef:flow/f6bbfcc7-9d81-4ac4-8a55-e3c1a1d8e14b/v3 | ef:flow/f6bbfcc7-9d81-4ac4-8a55-e3c1a1d8e14b/v4 |
| ef:activity/change/20260820T1812399309960000/198043 | context_iri | ef:agent/default_context_mapping | ef:flow/f6bbfcc7-9d81-4ac4-8a55-e3c1a1d8e14b/v4 | ef:flow/f6bbfcc7-9d81-4ac4-8a55-e3c1a1d8e14b/v5 |
| ef:activity/change/20260820T1812399309960000/215464 | unit_iri | ef:agent/unit_normalization | ef:flow/f6bbfcc7-9d81-4ac4-8a55-e3c1a1d8e14b/v5 | ef:flow/f6bbfcc7-9d81-4ac4-8a55-e3c1a1d8e14b/v6 |
| ef:activity/change/20260820T1812399309960000/233293 | properties | ef:agent/enrich_references | ef:flow/f6bbfcc7-9d81-4ac4-8a55-e3c1a1d8e14b/v6 | ef:flow/f6bbfcc7-9d81-4ac4-8a55-e3c1a1d8e14b/v7 |
| ef:activity/change/20260820T1812399309960000/233294 | skos_definition | ef:agent/enrich_references | ef:flow/f6bbfcc7-9d81-4ac4-8a55-e3c1a1d8e14b/v7 | ef:flow/f6bbfcc7-9d81-4ac4-8a55-e3c1a1d8e14b/v8 |
| ef:activity/change/20260820T1812399309960000/233295 | references | ef:agent/enrich_references | ef:flow/f6bbfcc7-9d81-4ac4-8a55-e3c1a1d8e14b/v8 | ef:flow/f6bbfcc7-9d81-4ac4-8a55-e3c1a1d8e14b/v9 |
| ef:activity/change/20260820T1812399309960000/250078 | properties | ef:agent/rdkit_pre_consensus | ef:flow/f6bbfcc7-9d81-4ac4-8a55-e3c1a1d8e14b/v9 | ef:flow/f6bbfcc7-9d81-4ac4-8a55-e3c1a1d8e14b/v10 |
| ef:activity/change/20260820T1812399309960000/255166 | altLabel | ef:agent/chebi_altlabels | ef:flow/f6bbfcc7-9d81-4ac4-8a55-e3c1a1d8e14b/v10 | ef:flow/f6bbfcc7-9d81-4ac4-8a55-e3c1a1d8e14b/v11 |
| ef:activity/change/20260820T1812399309960000/258488 | altLabel | ef:agent/consensus_match | ef:flow/f6bbfcc7-9d81-4ac4-8a55-e3c1a1d8e14b/v11 | ef:flow/f6bbfcc7-9d81-4ac4-8a55-e3c1a1d8e14b/v12 |
| ef:activity/change/20260820T1812399309960000/258489 | cas_match_labels | ef:agent/consensus_match | ef:flow/f6bbfcc7-9d81-4ac4-8a55-e3c1a1d8e14b/v12 | ef:flow/f6bbfcc7-9d81-4ac4-8a55-e3c1a1d8e14b/v13 |
| ef:activity/change/20260820T1812399309960000/275215 | properties | ef:agent/opsin_iupac | ef:flow/f6bbfcc7-9d81-4ac4-8a55-e3c1a1d8e14b/v13 | ef:flow/f6bbfcc7-9d81-4ac4-8a55-e3c1a1d8e14b/v14 |
| ef:activity/change/20260820T1812399309960000/281711 | properties | ef:agent/rdkit_post_consensus | ef:flow/f6bbfcc7-9d81-4ac4-8a55-e3c1a1d8e14b/v14 | ef:flow/f6bbfcc7-9d81-4ac4-8a55-e3c1a1d8e14b/v15 |
| ef:activity/change/20260820T1812399309960000/288543 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/f6bbfcc7-9d81-4ac4-8a55-e3c1a1d8e14b/v15 | ef:flow/f6bbfcc7-9d81-4ac4-8a55-e3c1a1d8e14b/v16 |
| ef:activity/change/20260820T1812399309960000/380048 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/f6bbfcc7-9d81-4ac4-8a55-e3c1a1d8e14b/v16 | ef:flow/f6bbfcc7-9d81-4ac4-8a55-e3c1a1d8e14b/v17 |
| ef:activity/change/20260820T1812399309960000/389511 | properties | ef:agent/normalise_property_values | ef:flow/f6bbfcc7-9d81-4ac4-8a55-e3c1a1d8e14b/v17 | ef:flow/f6bbfcc7-9d81-4ac4-8a55-e3c1a1d8e14b/v18 |
| ef:activity/change/20260820T1812399309960000/396698 | types | ef:agent/link_flows_to_their_substance | ef:flow/f6bbfcc7-9d81-4ac4-8a55-e3c1a1d8e14b/v18 | ef:flow/f6bbfcc7-9d81-4ac4-8a55-e3c1a1d8e14b/v19 |