Diisopropyl disulfide
Everything that changed this flow. Back to the flow
8d360ff4-9b22-46f8-b0d2-1fa692a0cafc
By field
13 fields| Field | Changes | Written by | Latest note |
|---|---|---|---|
| properties | 5 | enrich_references, normalise_property_values, opsin_iupac, rdkit_post_consensus, rdkit_pre_consensus | typed the way the ontology types it |
| altLabel | 4 | chebi_altlabels, consensus_match, strip_catalogue_altlabels | Removed 1 catalogue altLabel value(s): 'NSC 75123' (registry code) |
| prefLabel | 3 | bootstrap_labels, consensus_match, normalize_name_case | cas=4253-89-8; cc_chebi_agreed_name='Diisopropyl disulfide'; object_uuid=fo-85582e8997cf6060 |
| cas_match_labels | 1 | consensus_match | group_key=diisopropylsulphide||dimension=Environmental > media=Ground > geography=Non-agricultural; group_sources=['chebi', 'ec_inventory']; cas_sources={'4253-89-8': ['chebi', 'ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-85582e8997cf6060: {'4253-89-8': '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 soil, unspecified |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to soil, unspecified |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['4253-89-8']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_173637']; candidate_pubchem_cids=[77932, 99501]; selected_pubchem_cids=[77932]; 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
22| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 4,074 | bootstrap_labels | prefLabel | — | [{"@value":"diisopropyl sulphide","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttribut… | Bootstrapped prefLabel from legacy name field |
| 4,075 | bootstrap_labels | name | diisopropyl sulphide | — | Purged legacy name field to enforce prefLabel usage |
| 4,076 | bootstrap_labels | synonyms | ["2,2'-dithiodipropane","2,5-Dimethyl-3,4-dithiahexane","2-(propan-2-yldisulfanyl)propane","AC1L2U4Q","AC1Q7E9X","Diiso… | [] | Removed legacy synonyms field in favor of structured labels |
| 133,822 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Ground","geography":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to soil, unspecified |
| 133,823 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-grou-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to soil, unspecified |
| 214,701 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 222,029 | normalize_name_case | prefLabel | [{"@value":"diisopropyl sulphide","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttribut… | [{"@value":"Diisopropyl Sulphide","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttribut… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 231,102 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H14S2"],… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 231,103 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 231,104 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J99.999G","provenance":{"prov:wasGeneratedBy":"enrich_referenc… | Added references with provenance; cas_numbers=['4253-89-8']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_173637']; candidate_pubchem_cids=[77932, 99501]; selected_pubchem_cids=[77932]; 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 |
| 249,446 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H14S2"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H14S2"],… | rdkit_pre_consensus from 'CC(C)SSC(C)C'; added: monoisotopic_mass |
| 254,900 | chebi_altlabels | altLabel | [] | [{"@value":"2-(propan-2-yldisulanyl)propane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:w… | Added 1 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 266,026 | consensus_match | prefLabel | [{"@value":"Diisopropyl Sulphide","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttribut… | [{"@value":"Diisopropyl disulfide","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttribut… | cas=4253-89-8; cc_chebi_agreed_name='Diisopropyl disulfide'; object_uuid=fo-85582e8997cf6060 |
| 266,027 | consensus_match | altLabel | [{"@value":"2-(propan-2-yldisulanyl)propane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:w… | [{"@value":"2-(propan-2-yldisulanyl)propane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:w… | cas=4253-89-8; added original name as altLabel after CC/ChEBI rename; object_uuid=fo-85582e8997cf6060 |
| 266,028 | consensus_match | altLabel | [{"@value":"2-(propan-2-yldisulanyl)propane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:w… | [{"@value":"2-(propan-2-yldisulanyl)propane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:w… | group_key=diisopropylsulphide||dimension=Environmental > media=Ground > geography=Non-agricultural; cas=4253-89-8; added Common Chemistry CAS names as altLabel: 1,2-Diisopropyldisulfane, 2,5-Dimethyl-3,4-dithiahexane, 2-(Propan-2-yldisulfanyl)propane, Bis(1-methylethyl) disulfide, Disulfide, bis(1-methylethyl), Isopropyl disulfide, NSC 75123; object_uuid=fo-85582e8997cf6060 |
| 266,029 | consensus_match | cas_match_labels | — | {"4253-89-8":"exactMatch"} | group_key=diisopropylsulphide||dimension=Environmental > media=Ground > geography=Non-agricultural; group_sources=['chebi', 'ec_inventory']; cas_sources={'4253-89-8': ['chebi', 'ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-85582e8997cf6060: {'4253-89-8': 'exactMatch'} |
| 274,578 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H14S2"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H14S2"],… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Diisopropyl disulfide' |
| 281,029 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H14S2"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H14S2"],… | rdkit_post_consensus from 'CC(C)SSC(C)C'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 288,087 | strip_catalogue_altlabels | altLabel | [{"@value":"2-(propan-2-yldisulanyl)propane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:w… | [{"@value":"2-(propan-2-yldisulanyl)propane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:w… | Removed 1 catalogue altLabel value(s): 'NSC 75123' (registry code) |
| 347,907 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/8d360ff4-9b22-… | associations resolved on the elementary layer |
| 388,885 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H14S2"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H14S2"],… | typed the way the ontology types it |
| 395,806 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
PROV-O trail
22 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/20260822T0600486828500000/4074 | prefLabel | ef:agent/bootstrap_labels | ef:flow/8d360ff4-9b22-46f8-b0d2-1fa692a0cafc/v0 | ef:flow/8d360ff4-9b22-46f8-b0d2-1fa692a0cafc/v1 |
| ef:activity/change/20260822T0600486828500000/4075 | name | ef:agent/bootstrap_labels | ef:flow/8d360ff4-9b22-46f8-b0d2-1fa692a0cafc/v1 | ef:flow/8d360ff4-9b22-46f8-b0d2-1fa692a0cafc/v2 |
| ef:activity/change/20260822T0600486828500000/4076 | synonyms | ef:agent/bootstrap_labels | ef:flow/8d360ff4-9b22-46f8-b0d2-1fa692a0cafc/v2 | ef:flow/8d360ff4-9b22-46f8-b0d2-1fa692a0cafc/v3 |
| ef:activity/change/20260822T0600486828500000/133822 | context | ef:agent/default_context_mapping | ef:flow/8d360ff4-9b22-46f8-b0d2-1fa692a0cafc/v3 | ef:flow/8d360ff4-9b22-46f8-b0d2-1fa692a0cafc/v4 |
| ef:activity/change/20260822T0600486828500000/133823 | context_iri | ef:agent/default_context_mapping | ef:flow/8d360ff4-9b22-46f8-b0d2-1fa692a0cafc/v4 | ef:flow/8d360ff4-9b22-46f8-b0d2-1fa692a0cafc/v5 |
| ef:activity/change/20260822T0600486828500000/214701 | unit_iri | ef:agent/unit_normalization | ef:flow/8d360ff4-9b22-46f8-b0d2-1fa692a0cafc/v5 | ef:flow/8d360ff4-9b22-46f8-b0d2-1fa692a0cafc/v6 |
| ef:activity/change/20260822T0600486828500000/222029 | prefLabel | ef:agent/normalize_name_case | ef:flow/8d360ff4-9b22-46f8-b0d2-1fa692a0cafc/v6 | ef:flow/8d360ff4-9b22-46f8-b0d2-1fa692a0cafc/v7 |
| ef:activity/change/20260822T0600486828500000/231102 | properties | ef:agent/enrich_references | ef:flow/8d360ff4-9b22-46f8-b0d2-1fa692a0cafc/v7 | ef:flow/8d360ff4-9b22-46f8-b0d2-1fa692a0cafc/v8 |
| ef:activity/change/20260822T0600486828500000/231103 | skos_definition | ef:agent/enrich_references | ef:flow/8d360ff4-9b22-46f8-b0d2-1fa692a0cafc/v8 | ef:flow/8d360ff4-9b22-46f8-b0d2-1fa692a0cafc/v9 |
| ef:activity/change/20260822T0600486828500000/231104 | references | ef:agent/enrich_references | ef:flow/8d360ff4-9b22-46f8-b0d2-1fa692a0cafc/v9 | ef:flow/8d360ff4-9b22-46f8-b0d2-1fa692a0cafc/v10 |
| ef:activity/change/20260822T0600486828500000/249446 | properties | ef:agent/rdkit_pre_consensus | ef:flow/8d360ff4-9b22-46f8-b0d2-1fa692a0cafc/v10 | ef:flow/8d360ff4-9b22-46f8-b0d2-1fa692a0cafc/v11 |
| ef:activity/change/20260822T0600486828500000/254900 | altLabel | ef:agent/chebi_altlabels | ef:flow/8d360ff4-9b22-46f8-b0d2-1fa692a0cafc/v11 | ef:flow/8d360ff4-9b22-46f8-b0d2-1fa692a0cafc/v12 |
| ef:activity/change/20260822T0600486828500000/266026 | prefLabel | ef:agent/consensus_match | ef:flow/8d360ff4-9b22-46f8-b0d2-1fa692a0cafc/v12 | ef:flow/8d360ff4-9b22-46f8-b0d2-1fa692a0cafc/v13 |
| ef:activity/change/20260822T0600486828500000/266027 | altLabel | ef:agent/consensus_match | ef:flow/8d360ff4-9b22-46f8-b0d2-1fa692a0cafc/v13 | ef:flow/8d360ff4-9b22-46f8-b0d2-1fa692a0cafc/v14 |
| ef:activity/change/20260822T0600486828500000/266028 | altLabel | ef:agent/consensus_match | ef:flow/8d360ff4-9b22-46f8-b0d2-1fa692a0cafc/v14 | ef:flow/8d360ff4-9b22-46f8-b0d2-1fa692a0cafc/v15 |
| ef:activity/change/20260822T0600486828500000/266029 | cas_match_labels | ef:agent/consensus_match | ef:flow/8d360ff4-9b22-46f8-b0d2-1fa692a0cafc/v15 | ef:flow/8d360ff4-9b22-46f8-b0d2-1fa692a0cafc/v16 |
| ef:activity/change/20260822T0600486828500000/274578 | properties | ef:agent/opsin_iupac | ef:flow/8d360ff4-9b22-46f8-b0d2-1fa692a0cafc/v16 | ef:flow/8d360ff4-9b22-46f8-b0d2-1fa692a0cafc/v17 |
| ef:activity/change/20260822T0600486828500000/281029 | properties | ef:agent/rdkit_post_consensus | ef:flow/8d360ff4-9b22-46f8-b0d2-1fa692a0cafc/v17 | ef:flow/8d360ff4-9b22-46f8-b0d2-1fa692a0cafc/v18 |
| ef:activity/change/20260822T0600486828500000/288087 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/8d360ff4-9b22-46f8-b0d2-1fa692a0cafc/v18 | ef:flow/8d360ff4-9b22-46f8-b0d2-1fa692a0cafc/v19 |
| ef:activity/change/20260822T0600486828500000/347907 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/8d360ff4-9b22-46f8-b0d2-1fa692a0cafc/v19 | ef:flow/8d360ff4-9b22-46f8-b0d2-1fa692a0cafc/v20 |
| ef:activity/change/20260822T0600486828500000/388885 | properties | ef:agent/normalise_property_values | ef:flow/8d360ff4-9b22-46f8-b0d2-1fa692a0cafc/v20 | ef:flow/8d360ff4-9b22-46f8-b0d2-1fa692a0cafc/v21 |
| ef:activity/change/20260822T0600486828500000/395806 | types | ef:agent/link_flows_to_their_substance | ef:flow/8d360ff4-9b22-46f8-b0d2-1fa692a0cafc/v21 | ef:flow/8d360ff4-9b22-46f8-b0d2-1fa692a0cafc/v22 |