Bis(2,8,9-trioxa-5-aza-1-silabicyclo(3.3.3)undecane-1-propane-)disulfide
Everything that changed this flow. Back to the flow
d09ae613-a817-40a0-a0da-f5b2517cbd83
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 |
| prefLabel | 2 | bootstrap_labels, normalize_name_case | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| altLabel | 1 | consensus_match | group_key=bis(2,8,9-trioxa-5-aza-1-silabicyclo(3.3.3)undecane-1-propane-)disulfide||dimension=Environmental > media=Water > water_body=Ocean; cas=883794-93-2; added Common Chemistry CAS names as altLabel: 1,1′-(Dithiodi-3,1-propanediyl)bis[2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecane], 2,8,9-Trioxa-5-aza-1-silabicyclo[3.3.3]undecane, 1,1′-(dithiodi-3,1-propanediyl)bis-; object_uuid=fo-69d3b158391b4098 |
| cas_match_labels | 1 | consensus_match | group_key=bis(2,8,9-trioxa-5-aza-1-silabicyclo(3.3.3)undecane-1-propane-)disulfide||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['pubchem']; cas_sources={'883794-93-2': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-69d3b158391b4098: {'883794-93-2': '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 water, unspecified |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['883794-93-2']; matched_chebi_ids=[]; candidate_pubchem_cids=[4276941]; selected_pubchem_cids=[4276941]; 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 |
|---|---|---|---|---|---|
| 11,371 | bootstrap_labels | prefLabel | — | [{"@value":"bis(2,8,9-trioxa-5-aza-1-silabicyclo(3.3.3)undecane-1-propane-)disulfide","@language":"en","source":{"prov:… | Bootstrapped prefLabel from legacy name field |
| 11,372 | bootstrap_labels | name | bis(2,8,9-trioxa-5-aza-1-silabicyclo(3.3.3)undecane-1-propane-)disulfide | — | Purged legacy name field to enforce prefLabel usage |
| 11,373 | bootstrap_labels | synonyms | ["organic","bi(silatranylpropyl)disufide","si466"] | [] | Removed legacy synonyms field in favor of structured labels |
| 173,394 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified |
| 173,395 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified |
| 217,108 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 223,749 | normalize_name_case | prefLabel | [{"@value":"bis(2,8,9-trioxa-5-aza-1-silabicyclo(3.3.3)undecane-1-propane-)disulfide","@language":"en","source":{"prov:… | [{"@value":"Bis(2,8,9-trioxa-5-aza-1-silabicyclo(3.3.3)undecane-1-propane-)disulfide","@language":"en","source":{"prov:… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 237,992 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C18H36N2O6… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 237,993 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 237,994 | enrich_references | references | [] | [{"@id":"https://chem.echa.europa.eu/100.105.164","provenance":{"prov:wasGeneratedBy":"enrich_references.pubchem_identi… | Added references with provenance; cas_numbers=['883794-93-2']; matched_chebi_ids=[]; candidate_pubchem_cids=[4276941]; selected_pubchem_cids=[4276941]; 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 |
| 251,421 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C18H36N2O6… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C18H36N2O6… | rdkit_pre_consensus from 'C1CO[Si]2(OCCN1CCO2)CCCSSCCC[Si]34OCCN(CCO3)CCO4'; added: molecular_mass, monoisotopic_mass |
| 264,308 | consensus_match | altLabel | [] | [{"@value":"1,1′-(Dithiodi-3,1-propanediyl)bis[2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecane]","@language":"en","sour… | group_key=bis(2,8,9-trioxa-5-aza-1-silabicyclo(3.3.3)undecane-1-propane-)disulfide||dimension=Environmental > media=Water > water_body=Ocean; cas=883794-93-2; added Common Chemistry CAS names as altLabel: 1,1′-(Dithiodi-3,1-propanediyl)bis[2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecane], 2,8,9-Trioxa-5-aza-1-silabicyclo[3.3.3]undecane, 1,1′-(dithiodi-3,1-propanediyl)bis-; object_uuid=fo-69d3b158391b4098 |
| 264,309 | consensus_match | cas_match_labels | — | {"883794-93-2":"exactMatch"} | group_key=bis(2,8,9-trioxa-5-aza-1-silabicyclo(3.3.3)undecane-1-propane-)disulfide||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['pubchem']; cas_sources={'883794-93-2': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-69d3b158391b4098: {'883794-93-2': 'exactMatch'} |
| 276,601 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C18H36N2O6… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C18H36N2O6… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '1,1′-(Dithiodi-3,1-propanediyl)bis[2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecane]' |
| 283,223 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C18H36N2O6… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C18H36N2O6… | rdkit_post_consensus from 'C(CSSCCC[Si]12OCCN(CCO1)CCO2)C[Si]12OCCN(CCO1)CCO2'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 367,721 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/d09ae613-a817-… | associations resolved on the elementary layer |
| 390,957 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C18H36N2O6… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C18H36N2O6… | typed the way the ontology types it |
| 398,797 | 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/20260821T1554374006150000/11371 | prefLabel | ef:agent/bootstrap_labels | ef:flow/d09ae613-a817-40a0-a0da-f5b2517cbd83/v0 | ef:flow/d09ae613-a817-40a0-a0da-f5b2517cbd83/v1 |
| ef:activity/change/20260821T1554374006150000/11372 | name | ef:agent/bootstrap_labels | ef:flow/d09ae613-a817-40a0-a0da-f5b2517cbd83/v1 | ef:flow/d09ae613-a817-40a0-a0da-f5b2517cbd83/v2 |
| ef:activity/change/20260821T1554374006150000/11373 | synonyms | ef:agent/bootstrap_labels | ef:flow/d09ae613-a817-40a0-a0da-f5b2517cbd83/v2 | ef:flow/d09ae613-a817-40a0-a0da-f5b2517cbd83/v3 |
| ef:activity/change/20260821T1554374006150000/173394 | context | ef:agent/default_context_mapping | ef:flow/d09ae613-a817-40a0-a0da-f5b2517cbd83/v3 | ef:flow/d09ae613-a817-40a0-a0da-f5b2517cbd83/v4 |
| ef:activity/change/20260821T1554374006150000/173395 | context_iri | ef:agent/default_context_mapping | ef:flow/d09ae613-a817-40a0-a0da-f5b2517cbd83/v4 | ef:flow/d09ae613-a817-40a0-a0da-f5b2517cbd83/v5 |
| ef:activity/change/20260821T1554374006150000/217108 | unit_iri | ef:agent/unit_normalization | ef:flow/d09ae613-a817-40a0-a0da-f5b2517cbd83/v5 | ef:flow/d09ae613-a817-40a0-a0da-f5b2517cbd83/v6 |
| ef:activity/change/20260821T1554374006150000/223749 | prefLabel | ef:agent/normalize_name_case | ef:flow/d09ae613-a817-40a0-a0da-f5b2517cbd83/v6 | ef:flow/d09ae613-a817-40a0-a0da-f5b2517cbd83/v7 |
| ef:activity/change/20260821T1554374006150000/237992 | properties | ef:agent/enrich_references | ef:flow/d09ae613-a817-40a0-a0da-f5b2517cbd83/v7 | ef:flow/d09ae613-a817-40a0-a0da-f5b2517cbd83/v8 |
| ef:activity/change/20260821T1554374006150000/237993 | skos_definition | ef:agent/enrich_references | ef:flow/d09ae613-a817-40a0-a0da-f5b2517cbd83/v8 | ef:flow/d09ae613-a817-40a0-a0da-f5b2517cbd83/v9 |
| ef:activity/change/20260821T1554374006150000/237994 | references | ef:agent/enrich_references | ef:flow/d09ae613-a817-40a0-a0da-f5b2517cbd83/v9 | ef:flow/d09ae613-a817-40a0-a0da-f5b2517cbd83/v10 |
| ef:activity/change/20260821T1554374006150000/251421 | properties | ef:agent/rdkit_pre_consensus | ef:flow/d09ae613-a817-40a0-a0da-f5b2517cbd83/v10 | ef:flow/d09ae613-a817-40a0-a0da-f5b2517cbd83/v11 |
| ef:activity/change/20260821T1554374006150000/264308 | altLabel | ef:agent/consensus_match | ef:flow/d09ae613-a817-40a0-a0da-f5b2517cbd83/v11 | ef:flow/d09ae613-a817-40a0-a0da-f5b2517cbd83/v12 |
| ef:activity/change/20260821T1554374006150000/264309 | cas_match_labels | ef:agent/consensus_match | ef:flow/d09ae613-a817-40a0-a0da-f5b2517cbd83/v12 | ef:flow/d09ae613-a817-40a0-a0da-f5b2517cbd83/v13 |
| ef:activity/change/20260821T1554374006150000/276601 | properties | ef:agent/opsin_iupac | ef:flow/d09ae613-a817-40a0-a0da-f5b2517cbd83/v13 | ef:flow/d09ae613-a817-40a0-a0da-f5b2517cbd83/v14 |
| ef:activity/change/20260821T1554374006150000/283223 | properties | ef:agent/rdkit_post_consensus | ef:flow/d09ae613-a817-40a0-a0da-f5b2517cbd83/v14 | ef:flow/d09ae613-a817-40a0-a0da-f5b2517cbd83/v15 |
| ef:activity/change/20260821T1554374006150000/367721 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/d09ae613-a817-40a0-a0da-f5b2517cbd83/v15 | ef:flow/d09ae613-a817-40a0-a0da-f5b2517cbd83/v16 |
| ef:activity/change/20260821T1554374006150000/390957 | properties | ef:agent/normalise_property_values | ef:flow/d09ae613-a817-40a0-a0da-f5b2517cbd83/v16 | ef:flow/d09ae613-a817-40a0-a0da-f5b2517cbd83/v17 |
| ef:activity/change/20260821T1554374006150000/398797 | types | ef:agent/link_flows_to_their_substance | ef:flow/d09ae613-a817-40a0-a0da-f5b2517cbd83/v17 | ef:flow/d09ae613-a817-40a0-a0da-f5b2517cbd83/v18 |