Tert-dodecylmercaptan
Everything that changed this flow. Back to the flow
6d779deb-fba1-4646-9375-9d8cab1dcb4c
By field
13 fields| Field | Changes | Written by | Latest note |
|---|---|---|---|
| properties | 4 | enrich_references, normalise_property_values, rdkit_post_consensus, rdkit_pre_consensus | typed the way the ontology types it |
| altLabel | 2 | consensus_match, strip_catalogue_altlabels | Removed 1 catalogue altLabel value(s): 'Sulfole 120' (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=tert-dodecylmercaptan||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['ec_inventory', 'pubchem']; cas_sources={'25103-58-6': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-6fe5ee4201936c1a: {'25103-58-6': '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=['25103-58-6']; matched_chebi_ids=[]; candidate_pubchem_cids=[8195, 32793, 82330, 3022051, 10932546, 21779704]; selected_pubchem_cids=[32793]; 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 |
|---|---|---|---|---|---|
| 11,096 | bootstrap_labels | prefLabel | — | [{"@value":"tert-dodecylmercaptan","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttribu… | Bootstrapped prefLabel from legacy name field |
| 11,097 | bootstrap_labels | name | tert-dodecylmercaptan | — | Purged legacy name field to enforce prefLabel usage |
| 11,098 | bootstrap_labels | synonyms | ["organic","tert-dodecanethiol","tdm(tert-dodecylmercaptan)","tert-dodecylthiol"] | [] | Removed legacy synonyms field in favor of structured labels |
| 114,980 | 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 |
| 114,981 | 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 |
| 217,018 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 223,684 | normalize_name_case | prefLabel | [{"@value":"tert-dodecylmercaptan","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttribu… | [{"@value":"Tert-dodecylmercaptan","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttribu… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 237,739 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H26S"],… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 237,740 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 237,741 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J76.265B","provenance":{"prov:wasGeneratedBy":"enrich_referenc… | Added references with provenance; cas_numbers=['25103-58-6']; matched_chebi_ids=[]; candidate_pubchem_cids=[8195, 32793, 82330, 3022051, 10932546, 21779704]; selected_pubchem_cids=[32793]; 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 |
| 251,350 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H26S"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H26S"],… | rdkit_pre_consensus from 'CC(C)C(C)(C)C(C)(C)C(C)(C)S'; added: molecular_mass, monoisotopic_mass |
| 272,338 | consensus_match | altLabel | [] | [{"@value":"<em>tert</em>-Dodecanethiol","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAt… | group_key=tert-dodecylmercaptan||dimension=Environmental > media=Water > water_body=Ocean; cas=25103-58-6; added Common Chemistry CAS names as altLabel: <em>tert</em>-Dodecanethiol, <em>tert</em>-Dodecyl mercaptan, <em>tert</em>-Dodecyl thiol, <em>tert</em>-Lauryl mercaptan, Sulfole 120, TDM, t-DDM; object_uuid=fo-6fe5ee4201936c1a |
| 272,339 | consensus_match | cas_match_labels | — | {"25103-58-6":"exactMatch"} | group_key=tert-dodecylmercaptan||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['ec_inventory', 'pubchem']; cas_sources={'25103-58-6': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-6fe5ee4201936c1a: {'25103-58-6': 'exactMatch'} |
| 283,145 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H26S"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H26S"],… | rdkit_post_consensus from 'CC(C)C(C)(C)C(C)(C)C(C)(C)S'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 289,552 | strip_catalogue_altlabels | altLabel | [{"@value":"<em>tert</em>-Dodecanethiol","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAt… | [{"@value":"tert-Dodecanethiol","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedT… | Removed 1 catalogue altLabel value(s): 'Sulfole 120' (trade name) |
| 338,489 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/6d779deb-fba1-… | associations resolved on the elementary layer |
| 390,888 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H26S"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H26S"],… | typed the way the ontology types it |
| 398,690 | 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/20260821T1554374006150000/11096 | prefLabel | ef:agent/bootstrap_labels | ef:flow/6d779deb-fba1-4646-9375-9d8cab1dcb4c/v0 | ef:flow/6d779deb-fba1-4646-9375-9d8cab1dcb4c/v1 |
| ef:activity/change/20260821T1554374006150000/11097 | name | ef:agent/bootstrap_labels | ef:flow/6d779deb-fba1-4646-9375-9d8cab1dcb4c/v1 | ef:flow/6d779deb-fba1-4646-9375-9d8cab1dcb4c/v2 |
| ef:activity/change/20260821T1554374006150000/11098 | synonyms | ef:agent/bootstrap_labels | ef:flow/6d779deb-fba1-4646-9375-9d8cab1dcb4c/v2 | ef:flow/6d779deb-fba1-4646-9375-9d8cab1dcb4c/v3 |
| ef:activity/change/20260821T1554374006150000/114980 | context | ef:agent/default_context_mapping | ef:flow/6d779deb-fba1-4646-9375-9d8cab1dcb4c/v3 | ef:flow/6d779deb-fba1-4646-9375-9d8cab1dcb4c/v4 |
| ef:activity/change/20260821T1554374006150000/114981 | context_iri | ef:agent/default_context_mapping | ef:flow/6d779deb-fba1-4646-9375-9d8cab1dcb4c/v4 | ef:flow/6d779deb-fba1-4646-9375-9d8cab1dcb4c/v5 |
| ef:activity/change/20260821T1554374006150000/217018 | unit_iri | ef:agent/unit_normalization | ef:flow/6d779deb-fba1-4646-9375-9d8cab1dcb4c/v5 | ef:flow/6d779deb-fba1-4646-9375-9d8cab1dcb4c/v6 |
| ef:activity/change/20260821T1554374006150000/223684 | prefLabel | ef:agent/normalize_name_case | ef:flow/6d779deb-fba1-4646-9375-9d8cab1dcb4c/v6 | ef:flow/6d779deb-fba1-4646-9375-9d8cab1dcb4c/v7 |
| ef:activity/change/20260821T1554374006150000/237739 | properties | ef:agent/enrich_references | ef:flow/6d779deb-fba1-4646-9375-9d8cab1dcb4c/v7 | ef:flow/6d779deb-fba1-4646-9375-9d8cab1dcb4c/v8 |
| ef:activity/change/20260821T1554374006150000/237740 | skos_definition | ef:agent/enrich_references | ef:flow/6d779deb-fba1-4646-9375-9d8cab1dcb4c/v8 | ef:flow/6d779deb-fba1-4646-9375-9d8cab1dcb4c/v9 |
| ef:activity/change/20260821T1554374006150000/237741 | references | ef:agent/enrich_references | ef:flow/6d779deb-fba1-4646-9375-9d8cab1dcb4c/v9 | ef:flow/6d779deb-fba1-4646-9375-9d8cab1dcb4c/v10 |
| ef:activity/change/20260821T1554374006150000/251350 | properties | ef:agent/rdkit_pre_consensus | ef:flow/6d779deb-fba1-4646-9375-9d8cab1dcb4c/v10 | ef:flow/6d779deb-fba1-4646-9375-9d8cab1dcb4c/v11 |
| ef:activity/change/20260821T1554374006150000/272338 | altLabel | ef:agent/consensus_match | ef:flow/6d779deb-fba1-4646-9375-9d8cab1dcb4c/v11 | ef:flow/6d779deb-fba1-4646-9375-9d8cab1dcb4c/v12 |
| ef:activity/change/20260821T1554374006150000/272339 | cas_match_labels | ef:agent/consensus_match | ef:flow/6d779deb-fba1-4646-9375-9d8cab1dcb4c/v12 | ef:flow/6d779deb-fba1-4646-9375-9d8cab1dcb4c/v13 |
| ef:activity/change/20260821T1554374006150000/283145 | properties | ef:agent/rdkit_post_consensus | ef:flow/6d779deb-fba1-4646-9375-9d8cab1dcb4c/v13 | ef:flow/6d779deb-fba1-4646-9375-9d8cab1dcb4c/v14 |
| ef:activity/change/20260821T1554374006150000/289552 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/6d779deb-fba1-4646-9375-9d8cab1dcb4c/v14 | ef:flow/6d779deb-fba1-4646-9375-9d8cab1dcb4c/v15 |
| ef:activity/change/20260821T1554374006150000/338489 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/6d779deb-fba1-4646-9375-9d8cab1dcb4c/v15 | ef:flow/6d779deb-fba1-4646-9375-9d8cab1dcb4c/v16 |
| ef:activity/change/20260821T1554374006150000/390888 | properties | ef:agent/normalise_property_values | ef:flow/6d779deb-fba1-4646-9375-9d8cab1dcb4c/v16 | ef:flow/6d779deb-fba1-4646-9375-9d8cab1dcb4c/v17 |
| ef:activity/change/20260821T1554374006150000/398690 | types | ef:agent/link_flows_to_their_substance | ef:flow/6d779deb-fba1-4646-9375-9d8cab1dcb4c/v17 | ef:flow/6d779deb-fba1-4646-9375-9d8cab1dcb4c/v18 |