1,1,2,2,3,3,4,4,4-nonafluoro-n-(2-hydroxyethyl)-n-methylbutane-1-sulfonamide
Everything that changed this flow. Back to the flow
698b0490-cebf-43de-a5b2-b4d3cf3a8e33
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, dedupe_altlabels | Deduplicated altLabel values and removed entries matching prefLabel |
| cas_match_labels | 1 | consensus_match | group_key=1,1,2,2,3,3,4,4,4-nonafluoro-n-(2-hydroxyethyl)-n-methylbutane-1-sulfonamide||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'34454-97-2': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-b9fbb7a543ead149: {'34454-97-2': '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 water > Emissions to water, unspecified (long-term) |
| 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 (long-term) |
| 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=['34454-97-2']; matched_chebi_ids=[]; candidate_pubchem_cids=[118688, 57349080]; selected_pubchem_cids=[118688]; 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 |
|---|---|---|---|---|---|
| 6,202 | bootstrap_labels | prefLabel | — | [{"@value":"1,1,2,2,3,3,4,4,4-nonafluoro-n-(2-hydroxyethyl)-n-methylbutane-1-sulfonamide","@language":"en","source":{"p… | Bootstrapped prefLabel from legacy name field |
| 6,203 | bootstrap_labels | name | 1,1,2,2,3,3,4,4,4-nonafluoro-n-(2-hydroxyethyl)-n-methylbutane-1-sulfonamide | — | Purged legacy name field to enforce prefLabel usage |
| 6,204 | bootstrap_labels | synonyms | ["organic","1,1,2,2,3,3,4,4,4-nonafluoro-n-(2-hydroxyethyl)-n-methylbutane-1-sulphonamide"] | [] | Removed legacy synonyms field in favor of structured labels |
| 112,692 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Long-term"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified (long-term) |
| 112,693 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-lote | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified (long-term) |
| 215,418 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 233,154 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H8F9NO3S… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 233,155 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 233,156 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J250.898B","provenance":{"prov:wasGeneratedBy":"enrich_referen… | Added references with provenance; cas_numbers=['34454-97-2']; matched_chebi_ids=[]; candidate_pubchem_cids=[118688, 57349080]; selected_pubchem_cids=[118688]; 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 |
| 250,045 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H8F9NO3S… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H8F9NO3S… | rdkit_pre_consensus from 'CN(CCO)S(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F'; added: molecular_mass, monoisotopic_mass |
| 258,147 | consensus_match | altLabel | [] | [{"@value":"1,1,2,2,3,3,4,4,4-Nonafluoro-<em>N</em>-(2-hydroxyethyl)-<em>N</em>-methyl-1-butanesulfonamide","@language"… | group_key=1,1,2,2,3,3,4,4,4-nonafluoro-n-(2-hydroxyethyl)-n-methylbutane-1-sulfonamide||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=34454-97-2; added Common Chemistry CAS names as altLabel: 1,1,2,2,3,3,4,4,4-Nonafluoro-<em>N</em>-(2-hydroxyethyl)-<em>N</em>-methyl-1-butanesulfonamide, 1-Butanesulfonamide, 1,1,2,2,3,3,4,4,4-nonafluoro-<em>N</em>-(2-hydroxyethyl)-<em>N</em>-methyl-, 2-(<em>N</em>-Methylperfluorobutanesulfamoyl)ethanol, 2-[<em>N</em>-(Perfluorobutylsulfonyl)-<em>N</em>-methylamino]ethanol, <em>N</em>-(2-Hydroxyethyl)-<em>N</em>-methyl-perfluorobutane-1-sulfonamide; object_uuid=fo-b9fbb7a543ead149 |
| 258,148 | consensus_match | cas_match_labels | — | {"34454-97-2":"exactMatch"} | group_key=1,1,2,2,3,3,4,4,4-nonafluoro-n-(2-hydroxyethyl)-n-methylbutane-1-sulfonamide||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'34454-97-2': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-b9fbb7a543ead149: {'34454-97-2': 'exactMatch'} |
| 275,199 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H8F9NO3S… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H8F9NO3S… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '1,1,2,2,3,3,4,4,4-Nonafluoro-N-(2-hydroxyethyl)-N-methyl-1-butanesulfonamide' |
| 281,693 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H8F9NO3S… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H8F9NO3S… | rdkit_post_consensus from 'CN(CCO)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 292,333 | dedupe_altlabels | altLabel | [{"@value":"1,1,2,2,3,3,4,4,4-Nonafluoro-<em>N</em>-(2-hydroxyethyl)-<em>N</em>-methyl-1-butanesulfonamide","@language"… | [{"@value":"1,1,2,2,3,3,4,4,4-Nonafluoro-N-(2-hydroxyethyl)-N-methyl-1-butanesulfonamide","@language":"en","source":{"p… | Deduplicated altLabel values and removed entries matching prefLabel |
| 337,367 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/698b0490-cebf-… | associations resolved on the elementary layer |
| 389,499 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H8F9NO3S… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H8F9NO3S… | typed the way the ontology types it |
| 396,670 | 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/20260820T1555490862250000/6202 | prefLabel | ef:agent/bootstrap_labels | ef:flow/698b0490-cebf-43de-a5b2-b4d3cf3a8e33/v0 | ef:flow/698b0490-cebf-43de-a5b2-b4d3cf3a8e33/v1 |
| ef:activity/change/20260820T1555490862250000/6203 | name | ef:agent/bootstrap_labels | ef:flow/698b0490-cebf-43de-a5b2-b4d3cf3a8e33/v1 | ef:flow/698b0490-cebf-43de-a5b2-b4d3cf3a8e33/v2 |
| ef:activity/change/20260820T1555490862250000/6204 | synonyms | ef:agent/bootstrap_labels | ef:flow/698b0490-cebf-43de-a5b2-b4d3cf3a8e33/v2 | ef:flow/698b0490-cebf-43de-a5b2-b4d3cf3a8e33/v3 |
| ef:activity/change/20260820T1555490862250000/112692 | context | ef:agent/default_context_mapping | ef:flow/698b0490-cebf-43de-a5b2-b4d3cf3a8e33/v3 | ef:flow/698b0490-cebf-43de-a5b2-b4d3cf3a8e33/v4 |
| ef:activity/change/20260820T1555490862250000/112693 | context_iri | ef:agent/default_context_mapping | ef:flow/698b0490-cebf-43de-a5b2-b4d3cf3a8e33/v4 | ef:flow/698b0490-cebf-43de-a5b2-b4d3cf3a8e33/v5 |
| ef:activity/change/20260820T1555490862250000/215418 | unit_iri | ef:agent/unit_normalization | ef:flow/698b0490-cebf-43de-a5b2-b4d3cf3a8e33/v5 | ef:flow/698b0490-cebf-43de-a5b2-b4d3cf3a8e33/v6 |
| ef:activity/change/20260820T1555490862250000/233154 | properties | ef:agent/enrich_references | ef:flow/698b0490-cebf-43de-a5b2-b4d3cf3a8e33/v6 | ef:flow/698b0490-cebf-43de-a5b2-b4d3cf3a8e33/v7 |
| ef:activity/change/20260820T1555490862250000/233155 | skos_definition | ef:agent/enrich_references | ef:flow/698b0490-cebf-43de-a5b2-b4d3cf3a8e33/v7 | ef:flow/698b0490-cebf-43de-a5b2-b4d3cf3a8e33/v8 |
| ef:activity/change/20260820T1555490862250000/233156 | references | ef:agent/enrich_references | ef:flow/698b0490-cebf-43de-a5b2-b4d3cf3a8e33/v8 | ef:flow/698b0490-cebf-43de-a5b2-b4d3cf3a8e33/v9 |
| ef:activity/change/20260820T1555490862250000/250045 | properties | ef:agent/rdkit_pre_consensus | ef:flow/698b0490-cebf-43de-a5b2-b4d3cf3a8e33/v9 | ef:flow/698b0490-cebf-43de-a5b2-b4d3cf3a8e33/v10 |
| ef:activity/change/20260820T1555490862250000/258147 | altLabel | ef:agent/consensus_match | ef:flow/698b0490-cebf-43de-a5b2-b4d3cf3a8e33/v10 | ef:flow/698b0490-cebf-43de-a5b2-b4d3cf3a8e33/v11 |
| ef:activity/change/20260820T1555490862250000/258148 | cas_match_labels | ef:agent/consensus_match | ef:flow/698b0490-cebf-43de-a5b2-b4d3cf3a8e33/v11 | ef:flow/698b0490-cebf-43de-a5b2-b4d3cf3a8e33/v12 |
| ef:activity/change/20260820T1555490862250000/275199 | properties | ef:agent/opsin_iupac | ef:flow/698b0490-cebf-43de-a5b2-b4d3cf3a8e33/v12 | ef:flow/698b0490-cebf-43de-a5b2-b4d3cf3a8e33/v13 |
| ef:activity/change/20260820T1555490862250000/281693 | properties | ef:agent/rdkit_post_consensus | ef:flow/698b0490-cebf-43de-a5b2-b4d3cf3a8e33/v13 | ef:flow/698b0490-cebf-43de-a5b2-b4d3cf3a8e33/v14 |
| ef:activity/change/20260820T1555490862250000/292333 | altLabel | ef:agent/dedupe_altlabels | ef:flow/698b0490-cebf-43de-a5b2-b4d3cf3a8e33/v14 | ef:flow/698b0490-cebf-43de-a5b2-b4d3cf3a8e33/v15 |
| ef:activity/change/20260820T1555490862250000/337367 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/698b0490-cebf-43de-a5b2-b4d3cf3a8e33/v15 | ef:flow/698b0490-cebf-43de-a5b2-b4d3cf3a8e33/v16 |
| ef:activity/change/20260820T1555490862250000/389499 | properties | ef:agent/normalise_property_values | ef:flow/698b0490-cebf-43de-a5b2-b4d3cf3a8e33/v16 | ef:flow/698b0490-cebf-43de-a5b2-b4d3cf3a8e33/v17 |
| ef:activity/change/20260820T1555490862250000/396670 | types | ef:agent/link_flows_to_their_substance | ef:flow/698b0490-cebf-43de-a5b2-b4d3cf3a8e33/v17 | ef:flow/698b0490-cebf-43de-a5b2-b4d3cf3a8e33/v18 |