Sodium Decyl Sulphate
Everything that changed this flow. Back to the flow
9552e3c6-1d8a-4b81-a107-3b3039d8ae0e
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 4 catalogue altLabel value(s): 'Avirol 110' (trade name), 'Compound 132D' (trade name), 'Emal 3F' (grade code), 'Sulfotex 110' (trade name) |
| 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=sodiumdecylsulphate||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'142-87-0': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-a1e4240f1cfd70b3: {'142-87-0': '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 soil > Emissions to non-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 non-agricultural soil |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['142-87-0']; matched_chebi_ids=[]; candidate_pubchem_cids=[232606, 23665771, 53443338, 124202745]; selected_pubchem_cids=[124202745]; 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 |
|---|---|---|---|---|---|
| 4,347 | bootstrap_labels | prefLabel | — | [{"@value":"sodium decyl sulphate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttribu… | Bootstrapped prefLabel from legacy name field |
| 4,348 | bootstrap_labels | name | sodium decyl sulphate | — | Purged legacy name field to enforce prefLabel usage |
| 4,349 | bootstrap_labels | synonyms | ["AC1Q1VLA","Decyl sodium sulfate","Decyl sulfate sodium salt","Jsp002519","SBB007683","SODIUM N-DECYLSULPHATE","ST5104… | [] | Removed legacy synonyms field in favor of structured labels |
| 138,520 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Ground","geography":"Non-agricultural"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to non-agricultural soil |
| 138,521 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-grou-noag | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to non-agricultural soil |
| 214,791 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 222,094 | normalize_name_case | prefLabel | [{"@value":"sodium decyl sulphate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttribu… | [{"@value":"Sodium Decyl Sulphate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttribu… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 231,361 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H22NaO4… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 231,362 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 231,363 | enrich_references | references | [] | [{"@id":"https://commonchemistry.cas.org/detail?cas_rn=142-87-0","provenance":{"prov:wasGeneratedBy":"enrich_references… | Added references with provenance; cas_numbers=['142-87-0']; matched_chebi_ids=[]; candidate_pubchem_cids=[232606, 23665771, 53443338, 124202745]; selected_pubchem_cids=[124202745]; 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 |
| 249,521 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H22NaO4… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H22NaO4… | rdkit_pre_consensus from 'CCCCCCCCCCOS(=O)(=O)O.[Na]'; added: molecular_mass, monoisotopic_mass |
| 271,879 | consensus_match | altLabel | [] | [{"@value":"Avirol 110","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"cons… | group_key=sodiumdecylsulphate||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=142-87-0; added Common Chemistry CAS names as altLabel: Avirol 110, Compound 132D, DSS, DSS (surfactant), Decyl sodium sulfate, Decyl sulfate sodium salt, Emal 3F, Pentrone DN, Polystep B 25, Polystep B 25M, SDeS, Sodium <em>n</em>-decyl sulfate, Sodium capryl sulfate, Sodium decyl sulfate, Sodium hydrogen sulfate decyl ester, Sulfochem NADS, Sulfotex 110, Sulfuric acid, monodecyl ester, sodium salt, Sulfuric acid, monodecyl ester, sodium salt (1:1); object_uuid=fo-a1e4240f1cfd70b3 |
| 271,880 | consensus_match | cas_match_labels | — | {"142-87-0":"exactMatch"} | group_key=sodiumdecylsulphate||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'142-87-0': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-a1e4240f1cfd70b3: {'142-87-0': 'exactMatch'} |
| 274,652 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H22NaO4… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H22NaO4… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Sodium Decyl Sulphate' |
| 281,108 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H22NaO4… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H21NaO4… | rdkit_post_consensus from 'CCCCCCCCCCOS(=O)(=O)[O-].[Na+]'; added: inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass; confirmed: smiles_string, inchi2d_string |
| 286,805 | withhold_ambiguous_mass | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H21NaO4… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H21NaO4… | withhold_ambiguous_mass: removed molecular_mass, monoisotopic_mass; the flow carries 2 candidate structures, so no one mass describes it |
| 288,143 | strip_catalogue_altlabels | altLabel | [{"@value":"Avirol 110","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"cons… | [{"@value":"DSS","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-f… | Removed 4 catalogue altLabel value(s): 'Avirol 110' (trade name), 'Compound 132D' (trade name), 'Emal 3F' (grade code), 'Sulfotex 110' (trade name) |
| 350,261 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/9552e3c6-1d8a-… | associations resolved on the elementary layer |
| 395,910 | 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/20260821T1554374006150000/4347 | prefLabel | ef:agent/bootstrap_labels | ef:flow/9552e3c6-1d8a-4b81-a107-3b3039d8ae0e/v0 | ef:flow/9552e3c6-1d8a-4b81-a107-3b3039d8ae0e/v1 |
| ef:activity/change/20260821T1554374006150000/4348 | name | ef:agent/bootstrap_labels | ef:flow/9552e3c6-1d8a-4b81-a107-3b3039d8ae0e/v1 | ef:flow/9552e3c6-1d8a-4b81-a107-3b3039d8ae0e/v2 |
| ef:activity/change/20260821T1554374006150000/4349 | synonyms | ef:agent/bootstrap_labels | ef:flow/9552e3c6-1d8a-4b81-a107-3b3039d8ae0e/v2 | ef:flow/9552e3c6-1d8a-4b81-a107-3b3039d8ae0e/v3 |
| ef:activity/change/20260821T1554374006150000/138520 | context | ef:agent/default_context_mapping | ef:flow/9552e3c6-1d8a-4b81-a107-3b3039d8ae0e/v3 | ef:flow/9552e3c6-1d8a-4b81-a107-3b3039d8ae0e/v4 |
| ef:activity/change/20260821T1554374006150000/138521 | context_iri | ef:agent/default_context_mapping | ef:flow/9552e3c6-1d8a-4b81-a107-3b3039d8ae0e/v4 | ef:flow/9552e3c6-1d8a-4b81-a107-3b3039d8ae0e/v5 |
| ef:activity/change/20260821T1554374006150000/214791 | unit_iri | ef:agent/unit_normalization | ef:flow/9552e3c6-1d8a-4b81-a107-3b3039d8ae0e/v5 | ef:flow/9552e3c6-1d8a-4b81-a107-3b3039d8ae0e/v6 |
| ef:activity/change/20260821T1554374006150000/222094 | prefLabel | ef:agent/normalize_name_case | ef:flow/9552e3c6-1d8a-4b81-a107-3b3039d8ae0e/v6 | ef:flow/9552e3c6-1d8a-4b81-a107-3b3039d8ae0e/v7 |
| ef:activity/change/20260821T1554374006150000/231361 | properties | ef:agent/enrich_references | ef:flow/9552e3c6-1d8a-4b81-a107-3b3039d8ae0e/v7 | ef:flow/9552e3c6-1d8a-4b81-a107-3b3039d8ae0e/v8 |
| ef:activity/change/20260821T1554374006150000/231362 | skos_definition | ef:agent/enrich_references | ef:flow/9552e3c6-1d8a-4b81-a107-3b3039d8ae0e/v8 | ef:flow/9552e3c6-1d8a-4b81-a107-3b3039d8ae0e/v9 |
| ef:activity/change/20260821T1554374006150000/231363 | references | ef:agent/enrich_references | ef:flow/9552e3c6-1d8a-4b81-a107-3b3039d8ae0e/v9 | ef:flow/9552e3c6-1d8a-4b81-a107-3b3039d8ae0e/v10 |
| ef:activity/change/20260821T1554374006150000/249521 | properties | ef:agent/rdkit_pre_consensus | ef:flow/9552e3c6-1d8a-4b81-a107-3b3039d8ae0e/v10 | ef:flow/9552e3c6-1d8a-4b81-a107-3b3039d8ae0e/v11 |
| ef:activity/change/20260821T1554374006150000/271879 | altLabel | ef:agent/consensus_match | ef:flow/9552e3c6-1d8a-4b81-a107-3b3039d8ae0e/v11 | ef:flow/9552e3c6-1d8a-4b81-a107-3b3039d8ae0e/v12 |
| ef:activity/change/20260821T1554374006150000/271880 | cas_match_labels | ef:agent/consensus_match | ef:flow/9552e3c6-1d8a-4b81-a107-3b3039d8ae0e/v12 | ef:flow/9552e3c6-1d8a-4b81-a107-3b3039d8ae0e/v13 |
| ef:activity/change/20260821T1554374006150000/274652 | properties | ef:agent/opsin_iupac | ef:flow/9552e3c6-1d8a-4b81-a107-3b3039d8ae0e/v13 | ef:flow/9552e3c6-1d8a-4b81-a107-3b3039d8ae0e/v14 |
| ef:activity/change/20260821T1554374006150000/281108 | properties | ef:agent/rdkit_post_consensus | ef:flow/9552e3c6-1d8a-4b81-a107-3b3039d8ae0e/v14 | ef:flow/9552e3c6-1d8a-4b81-a107-3b3039d8ae0e/v15 |
| ef:activity/change/20260821T1554374006150000/286805 | properties | ef:agent/withhold_ambiguous_mass | ef:flow/9552e3c6-1d8a-4b81-a107-3b3039d8ae0e/v15 | ef:flow/9552e3c6-1d8a-4b81-a107-3b3039d8ae0e/v16 |
| ef:activity/change/20260821T1554374006150000/288143 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/9552e3c6-1d8a-4b81-a107-3b3039d8ae0e/v16 | ef:flow/9552e3c6-1d8a-4b81-a107-3b3039d8ae0e/v17 |
| ef:activity/change/20260821T1554374006150000/350261 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/9552e3c6-1d8a-4b81-a107-3b3039d8ae0e/v17 | ef:flow/9552e3c6-1d8a-4b81-a107-3b3039d8ae0e/v18 |
| ef:activity/change/20260821T1554374006150000/395910 | types | ef:agent/link_flows_to_their_substance | ef:flow/9552e3c6-1d8a-4b81-a107-3b3039d8ae0e/v18 | ef:flow/9552e3c6-1d8a-4b81-a107-3b3039d8ae0e/v19 |