3-trimethoxysilylpropanenitrile
Everything that changed this flow. Back to the flow
385af35c-b683-410b-9e1a-9f3ad1cc3074
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 | 1 | consensus_match | group_key=3-trimethoxysilylpropanenitrile||dimension=Environmental > media=Water > water_body=Ocean; cas=2526-62-7; added Common Chemistry CAS names as altLabel: 2-Cyanoethyltrimethoxysilane, 3-(Trimethoxysilyl)propanenitrile, 3-(Trimethoxysilyl)propionitrile, Cyanoethyltrimethoxysilane, Propanenitrile, 3-(trimethoxysilyl)-, Propionitrile, 3-(trimethoxysilyl)-, SIC 2445.0; object_uuid=fo-9b22a9cf1cf52626 |
| cas_match_labels | 1 | consensus_match | group_key=3-trimethoxysilylpropanenitrile||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['ec_inventory', 'pubchem']; cas_sources={'2526-62-7': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-9b22a9cf1cf52626: {'2526-62-7': '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 |
| prefLabel | 1 | bootstrap_labels | Bootstrapped prefLabel from legacy name field |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['2526-62-7']; matched_chebi_ids=[]; candidate_pubchem_cids=[75660, 215883]; selected_pubchem_cids=[75660]; 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
17| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 2,576 | bootstrap_labels | prefLabel | — | [{"@value":"3-trimethoxysilylpropanenitrile","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:… | Bootstrapped prefLabel from legacy name field |
| 2,577 | bootstrap_labels | name | 3-trimethoxysilylpropanenitrile | — | Purged legacy name field to enforce prefLabel usage |
| 2,578 | bootstrap_labels | synonyms | ["organometallic","3-(trimethoxysilyl)propiononitrile"] | [] | Removed legacy synonyms field in favor of structured labels |
| 74,092 | 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 |
| 74,093 | 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 |
| 214,198 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 229,656 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H13NO3Si… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 229,657 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 229,658 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J21.100A","provenance":{"prov:wasGeneratedBy":"enrich_referenc… | Added references with provenance; cas_numbers=['2526-62-7']; matched_chebi_ids=[]; candidate_pubchem_cids=[75660, 215883]; selected_pubchem_cids=[75660]; 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 |
| 249,031 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H13NO3Si… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H13NO3Si… | rdkit_pre_consensus from 'CO[Si](CCC#N)(OC)OC'; added: molecular_mass, monoisotopic_mass |
| 262,233 | consensus_match | altLabel | [] | [{"@value":"2-Cyanoethyltrimethoxysilane","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasA… | group_key=3-trimethoxysilylpropanenitrile||dimension=Environmental > media=Water > water_body=Ocean; cas=2526-62-7; added Common Chemistry CAS names as altLabel: 2-Cyanoethyltrimethoxysilane, 3-(Trimethoxysilyl)propanenitrile, 3-(Trimethoxysilyl)propionitrile, Cyanoethyltrimethoxysilane, Propanenitrile, 3-(trimethoxysilyl)-, Propionitrile, 3-(trimethoxysilyl)-, SIC 2445.0; object_uuid=fo-9b22a9cf1cf52626 |
| 262,234 | consensus_match | cas_match_labels | — | {"2526-62-7":"exactMatch"} | group_key=3-trimethoxysilylpropanenitrile||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['ec_inventory', 'pubchem']; cas_sources={'2526-62-7': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-9b22a9cf1cf52626: {'2526-62-7': 'exactMatch'} |
| 274,151 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H13NO3Si… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H13NO3Si… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '3-trimethoxysilylpropanenitrile' |
| 280,570 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H13NO3Si… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H13NO3Si… | rdkit_post_consensus from 'CO[Si](CCC#N)(OC)OC'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 318,062 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/385af35c-b683-… | associations resolved on the elementary layer |
| 388,443 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H13NO3Si… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H13NO3Si… | typed the way the ontology types it |
| 395,180 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
PROV-O trail
17 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/20260821T1302361922970000/2576 | prefLabel | ef:agent/bootstrap_labels | ef:flow/385af35c-b683-410b-9e1a-9f3ad1cc3074/v0 | ef:flow/385af35c-b683-410b-9e1a-9f3ad1cc3074/v1 |
| ef:activity/change/20260821T1302361922970000/2577 | name | ef:agent/bootstrap_labels | ef:flow/385af35c-b683-410b-9e1a-9f3ad1cc3074/v1 | ef:flow/385af35c-b683-410b-9e1a-9f3ad1cc3074/v2 |
| ef:activity/change/20260821T1302361922970000/2578 | synonyms | ef:agent/bootstrap_labels | ef:flow/385af35c-b683-410b-9e1a-9f3ad1cc3074/v2 | ef:flow/385af35c-b683-410b-9e1a-9f3ad1cc3074/v3 |
| ef:activity/change/20260821T1302361922970000/74092 | context | ef:agent/default_context_mapping | ef:flow/385af35c-b683-410b-9e1a-9f3ad1cc3074/v3 | ef:flow/385af35c-b683-410b-9e1a-9f3ad1cc3074/v4 |
| ef:activity/change/20260821T1302361922970000/74093 | context_iri | ef:agent/default_context_mapping | ef:flow/385af35c-b683-410b-9e1a-9f3ad1cc3074/v4 | ef:flow/385af35c-b683-410b-9e1a-9f3ad1cc3074/v5 |
| ef:activity/change/20260821T1302361922970000/214198 | unit_iri | ef:agent/unit_normalization | ef:flow/385af35c-b683-410b-9e1a-9f3ad1cc3074/v5 | ef:flow/385af35c-b683-410b-9e1a-9f3ad1cc3074/v6 |
| ef:activity/change/20260821T1302361922970000/229656 | properties | ef:agent/enrich_references | ef:flow/385af35c-b683-410b-9e1a-9f3ad1cc3074/v6 | ef:flow/385af35c-b683-410b-9e1a-9f3ad1cc3074/v7 |
| ef:activity/change/20260821T1302361922970000/229657 | skos_definition | ef:agent/enrich_references | ef:flow/385af35c-b683-410b-9e1a-9f3ad1cc3074/v7 | ef:flow/385af35c-b683-410b-9e1a-9f3ad1cc3074/v8 |
| ef:activity/change/20260821T1302361922970000/229658 | references | ef:agent/enrich_references | ef:flow/385af35c-b683-410b-9e1a-9f3ad1cc3074/v8 | ef:flow/385af35c-b683-410b-9e1a-9f3ad1cc3074/v9 |
| ef:activity/change/20260821T1302361922970000/249031 | properties | ef:agent/rdkit_pre_consensus | ef:flow/385af35c-b683-410b-9e1a-9f3ad1cc3074/v9 | ef:flow/385af35c-b683-410b-9e1a-9f3ad1cc3074/v10 |
| ef:activity/change/20260821T1302361922970000/262233 | altLabel | ef:agent/consensus_match | ef:flow/385af35c-b683-410b-9e1a-9f3ad1cc3074/v10 | ef:flow/385af35c-b683-410b-9e1a-9f3ad1cc3074/v11 |
| ef:activity/change/20260821T1302361922970000/262234 | cas_match_labels | ef:agent/consensus_match | ef:flow/385af35c-b683-410b-9e1a-9f3ad1cc3074/v11 | ef:flow/385af35c-b683-410b-9e1a-9f3ad1cc3074/v12 |
| ef:activity/change/20260821T1302361922970000/274151 | properties | ef:agent/opsin_iupac | ef:flow/385af35c-b683-410b-9e1a-9f3ad1cc3074/v12 | ef:flow/385af35c-b683-410b-9e1a-9f3ad1cc3074/v13 |
| ef:activity/change/20260821T1302361922970000/280570 | properties | ef:agent/rdkit_post_consensus | ef:flow/385af35c-b683-410b-9e1a-9f3ad1cc3074/v13 | ef:flow/385af35c-b683-410b-9e1a-9f3ad1cc3074/v14 |
| ef:activity/change/20260821T1302361922970000/318062 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/385af35c-b683-410b-9e1a-9f3ad1cc3074/v14 | ef:flow/385af35c-b683-410b-9e1a-9f3ad1cc3074/v15 |
| ef:activity/change/20260821T1302361922970000/388443 | properties | ef:agent/normalise_property_values | ef:flow/385af35c-b683-410b-9e1a-9f3ad1cc3074/v15 | ef:flow/385af35c-b683-410b-9e1a-9f3ad1cc3074/v16 |
| ef:activity/change/20260821T1302361922970000/395180 | types | ef:agent/link_flows_to_their_substance | ef:flow/385af35c-b683-410b-9e1a-9f3ad1cc3074/v16 | ef:flow/385af35c-b683-410b-9e1a-9f3ad1cc3074/v17 |