Sodium Dodecane-1-sulphonate
Everything that changed this flow. Back to the flow
4d62e027-6d3a-48f1-bbdc-8d91999f4030
By field
13 fields| Field | Changes | Written by | Latest note |
|---|---|---|---|
| properties | 5 | enrich_references, opsin_iupac, rdkit_post_consensus, rdkit_pre_consensus, withhold_ambiguous_mass | withhold_ambiguous_mass: removed molecular_mass, monoisotopic_mass; the flow carries 2 candidate structures, so no one mass describes it |
| altLabel | 2 | consensus_match, strip_catalogue_altlabels | Removed 5 catalogue altLabel value(s): 'CP 20' (grade code), 'CP 20 (emulsifier)' (grade code), 'H 95' (grade code), 'P 30' (grade code), 'P 30 (surfactant)' (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=sodiumdodecane-1-sulphonate||dimension=Environmental > media=Air > strata=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'2386-53-0': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-af391269f4641831: {'2386-53-0': '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, indoor |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, indoor |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['2386-53-0']; matched_chebi_ids=[]; candidate_pubchem_cids=[923, 5360545, 23665726, 87060252]; selected_pubchem_cids=[87060252]; 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 |
|---|---|---|---|---|---|
| 9,921 | bootstrap_labels | prefLabel | — | [{"@value":"sodium dodecane-1-sulphonate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:was… | Bootstrapped prefLabel from legacy name field |
| 9,922 | bootstrap_labels | name | sodium dodecane-1-sulphonate | — | Purged legacy name field to enforce prefLabel usage |
| 22,447 | bootstrap_labels | synonyms | ["sodiumdodecane-1-sulphonate","sodiumdodecane-1-sulfonate","1-DODECANESULFONIC ACID","1-Dodecanesulfonic acid, ion(1-)… | [] | Removed legacy synonyms field in favor of structured labels |
| 87,154 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","indoor":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, indoor |
| 87,155 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-indr-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, indoor |
| 216,635 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 223,413 | normalize_name_case | prefLabel | [{"@value":"sodium dodecane-1-sulphonate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:was… | [{"@value":"Sodium Dodecane-1-sulphonate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:was… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 236,655 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H26NaO3… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 236,656 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 236,657 | enrich_references | references | [] | [{"@id":"https://commonchemistry.cas.org/detail?cas_rn=2386-53-0","provenance":{"prov:wasGeneratedBy":"enrich_reference… | Added references with provenance; cas_numbers=['2386-53-0']; matched_chebi_ids=[]; candidate_pubchem_cids=[923, 5360545, 23665726, 87060252]; selected_pubchem_cids=[87060252]; 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 |
| 251,042 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H26NaO3… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H26NaO3… | rdkit_pre_consensus from 'CCCCCCCCCCCCS(=O)(=O)O.[Na]'; added: molecular_mass, monoisotopic_mass |
| 271,901 | consensus_match | altLabel | [] | [{"@value":"1-Dodecanesulfonic acid, sodium salt","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","p… | group_key=sodiumdodecane-1-sulphonate||dimension=Environmental > media=Air > strata=Unknown; cas=2386-53-0; added Common Chemistry CAS names as altLabel: 1-Dodecanesulfonic acid, sodium salt, 1-Dodecanesulfonic acid, sodium salt (1:1), <em>n</em>-Dodecylsulfonic acid sodium salt, AS, Acme SLS, CP 20, CP 20 (emulsifier), Calsoft SLS 30, DSS, Dodecanesulfonic acid, sodium salt, Dodecyl sodium sulfonate, Dodecylsulfonic acid sodium salt, Emal 2FG, H 95, Laurylsulfonic acid sodium salt, P 30, P 30 (surfactant), Perlan Alb, Sodium 1-dodecanesulfonate, Sodium <em>n</em>-dodecylsulfonate, Sodium dodecanesulfonate, Sodium dodecylsulfonate, Sodium laurylsulfonate, Stepanol PCK; object_uuid=fo-af391269f4641831 |
| 271,902 | consensus_match | cas_match_labels | — | {"2386-53-0":"exactMatch"} | group_key=sodiumdodecane-1-sulphonate||dimension=Environmental > media=Air > strata=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'2386-53-0': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-af391269f4641831: {'2386-53-0': 'exactMatch'} |
| 276,228 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H26NaO3… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H26NaO3… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Sodium Dodecane-1-sulphonate' |
| 282,813 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H26NaO3… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H25NaO3… | rdkit_post_consensus from 'CCCCCCCCCCCCS(=O)(=O)[O-].[Na+]'; added: inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass; confirmed: smiles_string, inchi2d_string |
| 286,924 | withhold_ambiguous_mass | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H25NaO3… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H25NaO3… | withhold_ambiguous_mass: removed molecular_mass, monoisotopic_mass; the flow carries 2 candidate structures, so no one mass describes it |
| 289,332 | strip_catalogue_altlabels | altLabel | [{"@value":"1-Dodecanesulfonic acid, sodium salt","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","p… | [{"@value":"1-Dodecanesulfonic acid, sodium salt","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","p… | Removed 5 catalogue altLabel value(s): 'CP 20' (grade code), 'CP 20 (emulsifier)' (grade code), 'H 95' (grade code), 'P 30' (grade code), 'P 30 (surfactant)' (grade code) |
| 324,593 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/4d62e027-6d3a-… | associations resolved on the elementary layer |
| 398,238 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/ChemicalSalt"] | 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/20260821T1554374006150000/9921 | prefLabel | ef:agent/bootstrap_labels | ef:flow/4d62e027-6d3a-48f1-bbdc-8d91999f4030/v0 | ef:flow/4d62e027-6d3a-48f1-bbdc-8d91999f4030/v1 |
| ef:activity/change/20260821T1554374006150000/9922 | name | ef:agent/bootstrap_labels | ef:flow/4d62e027-6d3a-48f1-bbdc-8d91999f4030/v1 | ef:flow/4d62e027-6d3a-48f1-bbdc-8d91999f4030/v2 |
| ef:activity/change/20260821T1554374006150000/22447 | synonyms | ef:agent/bootstrap_labels | ef:flow/4d62e027-6d3a-48f1-bbdc-8d91999f4030/v2 | ef:flow/4d62e027-6d3a-48f1-bbdc-8d91999f4030/v3 |
| ef:activity/change/20260821T1554374006150000/87154 | context | ef:agent/default_context_mapping | ef:flow/4d62e027-6d3a-48f1-bbdc-8d91999f4030/v3 | ef:flow/4d62e027-6d3a-48f1-bbdc-8d91999f4030/v4 |
| ef:activity/change/20260821T1554374006150000/87155 | context_iri | ef:agent/default_context_mapping | ef:flow/4d62e027-6d3a-48f1-bbdc-8d91999f4030/v4 | ef:flow/4d62e027-6d3a-48f1-bbdc-8d91999f4030/v5 |
| ef:activity/change/20260821T1554374006150000/216635 | unit_iri | ef:agent/unit_normalization | ef:flow/4d62e027-6d3a-48f1-bbdc-8d91999f4030/v5 | ef:flow/4d62e027-6d3a-48f1-bbdc-8d91999f4030/v6 |
| ef:activity/change/20260821T1554374006150000/223413 | prefLabel | ef:agent/normalize_name_case | ef:flow/4d62e027-6d3a-48f1-bbdc-8d91999f4030/v6 | ef:flow/4d62e027-6d3a-48f1-bbdc-8d91999f4030/v7 |
| ef:activity/change/20260821T1554374006150000/236655 | properties | ef:agent/enrich_references | ef:flow/4d62e027-6d3a-48f1-bbdc-8d91999f4030/v7 | ef:flow/4d62e027-6d3a-48f1-bbdc-8d91999f4030/v8 |
| ef:activity/change/20260821T1554374006150000/236656 | skos_definition | ef:agent/enrich_references | ef:flow/4d62e027-6d3a-48f1-bbdc-8d91999f4030/v8 | ef:flow/4d62e027-6d3a-48f1-bbdc-8d91999f4030/v9 |
| ef:activity/change/20260821T1554374006150000/236657 | references | ef:agent/enrich_references | ef:flow/4d62e027-6d3a-48f1-bbdc-8d91999f4030/v9 | ef:flow/4d62e027-6d3a-48f1-bbdc-8d91999f4030/v10 |
| ef:activity/change/20260821T1554374006150000/251042 | properties | ef:agent/rdkit_pre_consensus | ef:flow/4d62e027-6d3a-48f1-bbdc-8d91999f4030/v10 | ef:flow/4d62e027-6d3a-48f1-bbdc-8d91999f4030/v11 |
| ef:activity/change/20260821T1554374006150000/271901 | altLabel | ef:agent/consensus_match | ef:flow/4d62e027-6d3a-48f1-bbdc-8d91999f4030/v11 | ef:flow/4d62e027-6d3a-48f1-bbdc-8d91999f4030/v12 |
| ef:activity/change/20260821T1554374006150000/271902 | cas_match_labels | ef:agent/consensus_match | ef:flow/4d62e027-6d3a-48f1-bbdc-8d91999f4030/v12 | ef:flow/4d62e027-6d3a-48f1-bbdc-8d91999f4030/v13 |
| ef:activity/change/20260821T1554374006150000/276228 | properties | ef:agent/opsin_iupac | ef:flow/4d62e027-6d3a-48f1-bbdc-8d91999f4030/v13 | ef:flow/4d62e027-6d3a-48f1-bbdc-8d91999f4030/v14 |
| ef:activity/change/20260821T1554374006150000/282813 | properties | ef:agent/rdkit_post_consensus | ef:flow/4d62e027-6d3a-48f1-bbdc-8d91999f4030/v14 | ef:flow/4d62e027-6d3a-48f1-bbdc-8d91999f4030/v15 |
| ef:activity/change/20260821T1554374006150000/286924 | properties | ef:agent/withhold_ambiguous_mass | ef:flow/4d62e027-6d3a-48f1-bbdc-8d91999f4030/v15 | ef:flow/4d62e027-6d3a-48f1-bbdc-8d91999f4030/v16 |
| ef:activity/change/20260821T1554374006150000/289332 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/4d62e027-6d3a-48f1-bbdc-8d91999f4030/v16 | ef:flow/4d62e027-6d3a-48f1-bbdc-8d91999f4030/v17 |
| ef:activity/change/20260821T1554374006150000/324593 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/4d62e027-6d3a-48f1-bbdc-8d91999f4030/v17 | ef:flow/4d62e027-6d3a-48f1-bbdc-8d91999f4030/v18 |
| ef:activity/change/20260821T1554374006150000/398238 | types | ef:agent/link_flows_to_their_substance | ef:flow/4d62e027-6d3a-48f1-bbdc-8d91999f4030/v18 | ef:flow/4d62e027-6d3a-48f1-bbdc-8d91999f4030/v19 |