Lithium Dodecyl Sulfate
Everything that changed this flow. Back to the flow
8a6def89-891b-4a97-a9b7-3601bd2aa512
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 1 catalogue altLabel value(s): 'LL 30' (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=lithiumdodecylsulfate||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'2044-56-6': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-c714c96c1ddc7a16: {'2044-56-6': '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 fresh water |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to fresh water |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['2044-56-6']; matched_chebi_ids=[]; candidate_pubchem_cids=[167864, 2735071, 23693631, 87058930]; selected_pubchem_cids=[87058930]; 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 |
|---|---|---|---|---|---|
| 21,505 | bootstrap_labels | prefLabel | — | [{"@value":"lithium dodecyl sulfate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttri… | Bootstrapped prefLabel from legacy name field |
| 21,506 | bootstrap_labels | name | lithium dodecyl sulfate | — | Purged legacy name field to enforce prefLabel usage |
| 21,507 | bootstrap_labels | synonyms | ["organometallic","lithiumdodecylsulphate"] | [] | Removed legacy synonyms field in favor of structured labels |
| 132,140 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Surface water"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to fresh water |
| 132,141 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-suwa | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to fresh water |
| 220,236 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 225,953 | normalize_name_case | prefLabel | [{"@value":"lithium dodecyl sulfate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttri… | [{"@value":"Lithium Dodecyl Sulfate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttri… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 246,813 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H26LiO4… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 246,814 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 246,815 | enrich_references | references | [] | [{"@id":"https://commonchemistry.cas.org/detail?cas_rn=2044-56-6","provenance":{"prov:wasGeneratedBy":"enrich_reference… | Added references with provenance; cas_numbers=['2044-56-6']; matched_chebi_ids=[]; candidate_pubchem_cids=[167864, 2735071, 23693631, 87058930]; selected_pubchem_cids=[87058930]; 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 |
| 253,984 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H26LiO4… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H26LiO4… | rdkit_pre_consensus from '[Li].CCCCCCCCCCCCOS(=O)(=O)O'; added: molecular_mass, monoisotopic_mass |
| 268,404 | consensus_match | altLabel | [] | [{"@value":"Cycloryl LA","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"con… | group_key=lithiumdodecylsulfate||dimension=Environmental > media=Water > water_body=Unknown; cas=2044-56-6; added Common Chemistry CAS names as altLabel: Cycloryl LA, Dodecyl lithium sulfate, LL 30, Li dodecyl sulfate, Lithium lauryl sulfate, Sinnopon LL 30, Sipon LL 30, Sulfuric acid, monododecyl ester, lithium salt, Sulfuric acid, monododecyl ester, lithium salt (1:1), Taipol NLL 27; object_uuid=fo-c714c96c1ddc7a16 |
| 268,405 | consensus_match | cas_match_labels | — | {"2044-56-6":"exactMatch"} | group_key=lithiumdodecylsulfate||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'2044-56-6': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-c714c96c1ddc7a16: {'2044-56-6': 'exactMatch'} |
| 279,176 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H26LiO4… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H26LiO4… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Lithium Dodecyl Sulfate' |
| 286,032 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H26LiO4… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H25LiO4… | rdkit_post_consensus from 'CCCCCCCCCCCCOS(=O)(=O)[O-].[Li+]'; added: inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass; confirmed: smiles_string, inchi2d_string |
| 287,208 | withhold_ambiguous_mass | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H25LiO4… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H25LiO4… | withhold_ambiguous_mass: removed molecular_mass, monoisotopic_mass; the flow carries 2 candidate structures, so no one mass describes it |
| 291,472 | strip_catalogue_altlabels | altLabel | [{"@value":"Cycloryl LA","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"con… | [{"@value":"Cycloryl LA","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"con… | Removed 1 catalogue altLabel value(s): 'LL 30' (grade code) |
| 347,065 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/8a6def89-891b-… | associations resolved on the elementary layer |
| 402,623 | 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/20260822T0600486828500000/21505 | prefLabel | ef:agent/bootstrap_labels | ef:flow/8a6def89-891b-4a97-a9b7-3601bd2aa512/v0 | ef:flow/8a6def89-891b-4a97-a9b7-3601bd2aa512/v1 |
| ef:activity/change/20260822T0600486828500000/21506 | name | ef:agent/bootstrap_labels | ef:flow/8a6def89-891b-4a97-a9b7-3601bd2aa512/v1 | ef:flow/8a6def89-891b-4a97-a9b7-3601bd2aa512/v2 |
| ef:activity/change/20260822T0600486828500000/21507 | synonyms | ef:agent/bootstrap_labels | ef:flow/8a6def89-891b-4a97-a9b7-3601bd2aa512/v2 | ef:flow/8a6def89-891b-4a97-a9b7-3601bd2aa512/v3 |
| ef:activity/change/20260822T0600486828500000/132140 | context | ef:agent/default_context_mapping | ef:flow/8a6def89-891b-4a97-a9b7-3601bd2aa512/v3 | ef:flow/8a6def89-891b-4a97-a9b7-3601bd2aa512/v4 |
| ef:activity/change/20260822T0600486828500000/132141 | context_iri | ef:agent/default_context_mapping | ef:flow/8a6def89-891b-4a97-a9b7-3601bd2aa512/v4 | ef:flow/8a6def89-891b-4a97-a9b7-3601bd2aa512/v5 |
| ef:activity/change/20260822T0600486828500000/220236 | unit_iri | ef:agent/unit_normalization | ef:flow/8a6def89-891b-4a97-a9b7-3601bd2aa512/v5 | ef:flow/8a6def89-891b-4a97-a9b7-3601bd2aa512/v6 |
| ef:activity/change/20260822T0600486828500000/225953 | prefLabel | ef:agent/normalize_name_case | ef:flow/8a6def89-891b-4a97-a9b7-3601bd2aa512/v6 | ef:flow/8a6def89-891b-4a97-a9b7-3601bd2aa512/v7 |
| ef:activity/change/20260822T0600486828500000/246813 | properties | ef:agent/enrich_references | ef:flow/8a6def89-891b-4a97-a9b7-3601bd2aa512/v7 | ef:flow/8a6def89-891b-4a97-a9b7-3601bd2aa512/v8 |
| ef:activity/change/20260822T0600486828500000/246814 | skos_definition | ef:agent/enrich_references | ef:flow/8a6def89-891b-4a97-a9b7-3601bd2aa512/v8 | ef:flow/8a6def89-891b-4a97-a9b7-3601bd2aa512/v9 |
| ef:activity/change/20260822T0600486828500000/246815 | references | ef:agent/enrich_references | ef:flow/8a6def89-891b-4a97-a9b7-3601bd2aa512/v9 | ef:flow/8a6def89-891b-4a97-a9b7-3601bd2aa512/v10 |
| ef:activity/change/20260822T0600486828500000/253984 | properties | ef:agent/rdkit_pre_consensus | ef:flow/8a6def89-891b-4a97-a9b7-3601bd2aa512/v10 | ef:flow/8a6def89-891b-4a97-a9b7-3601bd2aa512/v11 |
| ef:activity/change/20260822T0600486828500000/268404 | altLabel | ef:agent/consensus_match | ef:flow/8a6def89-891b-4a97-a9b7-3601bd2aa512/v11 | ef:flow/8a6def89-891b-4a97-a9b7-3601bd2aa512/v12 |
| ef:activity/change/20260822T0600486828500000/268405 | cas_match_labels | ef:agent/consensus_match | ef:flow/8a6def89-891b-4a97-a9b7-3601bd2aa512/v12 | ef:flow/8a6def89-891b-4a97-a9b7-3601bd2aa512/v13 |
| ef:activity/change/20260822T0600486828500000/279176 | properties | ef:agent/opsin_iupac | ef:flow/8a6def89-891b-4a97-a9b7-3601bd2aa512/v13 | ef:flow/8a6def89-891b-4a97-a9b7-3601bd2aa512/v14 |
| ef:activity/change/20260822T0600486828500000/286032 | properties | ef:agent/rdkit_post_consensus | ef:flow/8a6def89-891b-4a97-a9b7-3601bd2aa512/v14 | ef:flow/8a6def89-891b-4a97-a9b7-3601bd2aa512/v15 |
| ef:activity/change/20260822T0600486828500000/287208 | properties | ef:agent/withhold_ambiguous_mass | ef:flow/8a6def89-891b-4a97-a9b7-3601bd2aa512/v15 | ef:flow/8a6def89-891b-4a97-a9b7-3601bd2aa512/v16 |
| ef:activity/change/20260822T0600486828500000/291472 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/8a6def89-891b-4a97-a9b7-3601bd2aa512/v16 | ef:flow/8a6def89-891b-4a97-a9b7-3601bd2aa512/v17 |
| ef:activity/change/20260822T0600486828500000/347065 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/8a6def89-891b-4a97-a9b7-3601bd2aa512/v17 | ef:flow/8a6def89-891b-4a97-a9b7-3601bd2aa512/v18 |
| ef:activity/change/20260822T0600486828500000/402623 | types | ef:agent/link_flows_to_their_substance | ef:flow/8a6def89-891b-4a97-a9b7-3601bd2aa512/v18 | ef:flow/8a6def89-891b-4a97-a9b7-3601bd2aa512/v19 |