Sodium Hexadecyl Sulphate
Everything that changed this flow. Back to the flow
57402dc3-4ffe-431b-92fd-906446deddbc
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, dedupe_altlabels | Deduplicated altLabel values and removed entries matching prefLabel |
| 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=sodiumhexadecylsulphate||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'1120-01-0': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-635f195d076f8a64: {'1120-01-0': '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 non-urban air or from high stacks |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to non-urban air or from high stacks |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['1120-01-0']; matched_chebi_ids=[]; candidate_pubchem_cids=[5360545, 23616669, 23621259, 23665769, 23695542, 24192423]; selected_pubchem_cids=[24192423]; 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 |
|---|---|---|---|---|---|
| 20,208 | bootstrap_labels | prefLabel | — | [{"@value":"sodium hexadecyl sulphate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAtt… | Bootstrapped prefLabel from legacy name field |
| 20,209 | bootstrap_labels | name | sodium hexadecyl sulphate | — | Purged legacy name field to enforce prefLabel usage |
| 20,210 | bootstrap_labels | synonyms | ["1-HEXADECANE SULFONIC ACID SODIUM SALT","1-Hexadecanesulfonic acid sodium salt","1-Hexadecanesulfonic acid, sodium sa… | [] | Removed legacy synonyms field in favor of structured labels |
| 101,633 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Medium stack, <150 meters","population_density":"Rural (<1000 peop… | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to non-urban air or from high stacks |
| 101,634 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-mest15me-ru10pesq | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to non-urban air or from high stacks |
| 219,894 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 225,678 | normalize_name_case | prefLabel | [{"@value":"sodium hexadecyl sulphate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAtt… | [{"@value":"Sodium Hexadecyl Sulphate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAtt… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 245,878 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H34NaO4… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 245,879 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 245,880 | enrich_references | references | [] | [{"@id":"https://commonchemistry.cas.org/detail?cas_rn=1120-01-0","provenance":{"prov:wasGeneratedBy":"enrich_reference… | Added references with provenance; cas_numbers=['1120-01-0']; matched_chebi_ids=[]; candidate_pubchem_cids=[5360545, 23616669, 23621259, 23665769, 23695542, 24192423]; selected_pubchem_cids=[24192423]; 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 |
| 253,711 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H34NaO4… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H34NaO4… | rdkit_pre_consensus from 'CCCCCCCCCCCCCCCCOS(=O)(=O)O.[Na]'; added: molecular_mass, monoisotopic_mass |
| 271,927 | consensus_match | altLabel | [] | [{"@value":"1-Hexadecanol, 1-(hydrogen sulfate), sodium salt (1:1)","@language":"en","source":{"prov:wasGeneratedBy":"c… | group_key=sodiumhexadecylsulphate||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=1120-01-0; added Common Chemistry CAS names as altLabel: 1-Hexadecanol, 1-(hydrogen sulfate), sodium salt (1:1), 1-Hexadecanol, hydrogen sulfate, sodium salt, Avitex C, Avitex SF, Cetyl sodium sulfate, Cetyl sulfate sodium salt, Conco Sulfate C, Hexadecyl sodium sulfate, Hexadecyl sulfate sodium salt, Lanette E, Nikkol SCS, SHS, Sipex EC 111, Sodium 1-hexadecanol sulfate, Sodium <em>n</em>-hexadecyl sulfate, Sodium cetyl sulfate, Sodium hexadecyl sulfate, Sodium monohexadecyl sulfate, Sodium palmityl sulfate, Tergitol anionic 7; object_uuid=fo-635f195d076f8a64 |
| 271,928 | consensus_match | cas_match_labels | — | {"1120-01-0":"exactMatch"} | group_key=sodiumhexadecylsulphate||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'1120-01-0': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-635f195d076f8a64: {'1120-01-0': 'exactMatch'} |
| 278,926 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H34NaO4… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H34NaO4… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Sodium Hexadecyl Sulphate' |
| 285,734 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H34NaO4… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H33NaO4… | rdkit_post_consensus from 'CCCCCCCCCCCCCCCCOS(=O)(=O)[O-].[Na+]'; added: inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass; confirmed: smiles_string, inchi2d_string |
| 287,181 | withhold_ambiguous_mass | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H33NaO4… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H33NaO4… | withhold_ambiguous_mass: removed molecular_mass, monoisotopic_mass; the flow carries 2 candidate structures, so no one mass describes it |
| 293,086 | dedupe_altlabels | altLabel | [{"@value":"1-Hexadecanol, 1-(hydrogen sulfate), sodium salt (1:1)","@language":"en","source":{"prov:wasGeneratedBy":"c… | [{"@value":"1-Hexadecanol, 1-(hydrogen sulfate), sodium salt (1:1)","@language":"en","source":{"prov:wasGeneratedBy":"c… | Deduplicated altLabel values and removed entries matching prefLabel |
| 331,852 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/57402dc3-4ffe-… | associations resolved on the elementary layer |
| 402,215 | 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/20261019T0712047113160000/20208 | prefLabel | ef:agent/bootstrap_labels | ef:flow/57402dc3-4ffe-431b-92fd-906446deddbc/v0 | ef:flow/57402dc3-4ffe-431b-92fd-906446deddbc/v1 |
| ef:activity/change/20261019T0712047113160000/20209 | name | ef:agent/bootstrap_labels | ef:flow/57402dc3-4ffe-431b-92fd-906446deddbc/v1 | ef:flow/57402dc3-4ffe-431b-92fd-906446deddbc/v2 |
| ef:activity/change/20261019T0712047113160000/20210 | synonyms | ef:agent/bootstrap_labels | ef:flow/57402dc3-4ffe-431b-92fd-906446deddbc/v2 | ef:flow/57402dc3-4ffe-431b-92fd-906446deddbc/v3 |
| ef:activity/change/20261019T0712047113160000/101633 | context | ef:agent/default_context_mapping | ef:flow/57402dc3-4ffe-431b-92fd-906446deddbc/v3 | ef:flow/57402dc3-4ffe-431b-92fd-906446deddbc/v4 |
| ef:activity/change/20261019T0712047113160000/101634 | context_iri | ef:agent/default_context_mapping | ef:flow/57402dc3-4ffe-431b-92fd-906446deddbc/v4 | ef:flow/57402dc3-4ffe-431b-92fd-906446deddbc/v5 |
| ef:activity/change/20261019T0712047113160000/219894 | unit_iri | ef:agent/unit_normalization | ef:flow/57402dc3-4ffe-431b-92fd-906446deddbc/v5 | ef:flow/57402dc3-4ffe-431b-92fd-906446deddbc/v6 |
| ef:activity/change/20261019T0712047113160000/225678 | prefLabel | ef:agent/normalize_name_case | ef:flow/57402dc3-4ffe-431b-92fd-906446deddbc/v6 | ef:flow/57402dc3-4ffe-431b-92fd-906446deddbc/v7 |
| ef:activity/change/20261019T0712047113160000/245878 | properties | ef:agent/enrich_references | ef:flow/57402dc3-4ffe-431b-92fd-906446deddbc/v7 | ef:flow/57402dc3-4ffe-431b-92fd-906446deddbc/v8 |
| ef:activity/change/20261019T0712047113160000/245879 | skos_definition | ef:agent/enrich_references | ef:flow/57402dc3-4ffe-431b-92fd-906446deddbc/v8 | ef:flow/57402dc3-4ffe-431b-92fd-906446deddbc/v9 |
| ef:activity/change/20261019T0712047113160000/245880 | references | ef:agent/enrich_references | ef:flow/57402dc3-4ffe-431b-92fd-906446deddbc/v9 | ef:flow/57402dc3-4ffe-431b-92fd-906446deddbc/v10 |
| ef:activity/change/20261019T0712047113160000/253711 | properties | ef:agent/rdkit_pre_consensus | ef:flow/57402dc3-4ffe-431b-92fd-906446deddbc/v10 | ef:flow/57402dc3-4ffe-431b-92fd-906446deddbc/v11 |
| ef:activity/change/20261019T0712047113160000/271927 | altLabel | ef:agent/consensus_match | ef:flow/57402dc3-4ffe-431b-92fd-906446deddbc/v11 | ef:flow/57402dc3-4ffe-431b-92fd-906446deddbc/v12 |
| ef:activity/change/20261019T0712047113160000/271928 | cas_match_labels | ef:agent/consensus_match | ef:flow/57402dc3-4ffe-431b-92fd-906446deddbc/v12 | ef:flow/57402dc3-4ffe-431b-92fd-906446deddbc/v13 |
| ef:activity/change/20261019T0712047113160000/278926 | properties | ef:agent/opsin_iupac | ef:flow/57402dc3-4ffe-431b-92fd-906446deddbc/v13 | ef:flow/57402dc3-4ffe-431b-92fd-906446deddbc/v14 |
| ef:activity/change/20261019T0712047113160000/285734 | properties | ef:agent/rdkit_post_consensus | ef:flow/57402dc3-4ffe-431b-92fd-906446deddbc/v14 | ef:flow/57402dc3-4ffe-431b-92fd-906446deddbc/v15 |
| ef:activity/change/20261019T0712047113160000/287181 | properties | ef:agent/withhold_ambiguous_mass | ef:flow/57402dc3-4ffe-431b-92fd-906446deddbc/v15 | ef:flow/57402dc3-4ffe-431b-92fd-906446deddbc/v16 |
| ef:activity/change/20261019T0712047113160000/293086 | altLabel | ef:agent/dedupe_altlabels | ef:flow/57402dc3-4ffe-431b-92fd-906446deddbc/v16 | ef:flow/57402dc3-4ffe-431b-92fd-906446deddbc/v17 |
| ef:activity/change/20261019T0712047113160000/331852 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/57402dc3-4ffe-431b-92fd-906446deddbc/v17 | ef:flow/57402dc3-4ffe-431b-92fd-906446deddbc/v18 |
| ef:activity/change/20261019T0712047113160000/402215 | types | ef:agent/link_flows_to_their_substance | ef:flow/57402dc3-4ffe-431b-92fd-906446deddbc/v18 | ef:flow/57402dc3-4ffe-431b-92fd-906446deddbc/v19 |