Phosphorodithioic Acid, S-[2-(ethylsulfonyl)ethy
Everything that changed this flow. Back to the flow
01f7ade9-f0b8-444b-bbea-c69d6a7696e7
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 | 2 | consensus_match, dedupe_altlabels | Deduplicated altLabel values and removed entries matching prefLabel |
| 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=phosphorodithioicacid,s-[2-(ethylsulfonyl)ethy||dimension=Environmental > media=Ground > geography=Unknown; group_sources=[]; cas_sources={'20301-63-7': []}; assigned CAS labels from group consensus; object_uuid=fo-c911165518f5952a: {'20301-63-7': '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 |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['20301-63-7']; matched_chebi_ids=[]; candidate_pubchem_cids=[88482, 244430, 91752132]; selected_pubchem_cids=[88482]; 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 |
|---|---|---|---|---|---|
| 1,654 | bootstrap_labels | prefLabel | — | [{"@value":"phosphorodithioic acid, S-[2-(ethylsulfonyl)ethy","@language":"en","source":{"prov:wasGeneratedBy":"bootstr… | Bootstrapped prefLabel from legacy name field |
| 1,655 | bootstrap_labels | name | phosphorodithioic acid, S-[2-(ethylsulfonyl)ethy | — | Purged legacy name field to enforce prefLabel usage |
| 1,656 | bootstrap_labels | synonyms | ["2-ethylsulfonylethylsulfanyl-dimethoxy-sulfanylidene-","AC1L3FTX","AC1Q6V2K","Phosphorodithioic acid, S-(2-(ethylsulf… | [] | Removed legacy synonyms field in favor of structured labels |
| 27,046 | 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 |
| 27,047 | 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 |
| 213,889 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 221,475 | normalize_name_case | prefLabel | [{"@value":"phosphorodithioic acid, S-[2-(ethylsulfonyl)ethy","@language":"en","source":{"prov:wasGeneratedBy":"bootstr… | [{"@value":"Phosphorodithioic Acid, S-[2-(ethylsulfonyl)ethy","@language":"en","source":{"prov:wasGeneratedBy":"bootstr… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 228,773 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H15O4PS3… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 228,774 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 228,775 | enrich_references | references | [] | [{"@id":"https://commonchemistry.cas.org/detail?cas_rn=20301-63-7","provenance":{"prov:wasGeneratedBy":"enrich_referenc… | Added references with provenance; cas_numbers=['20301-63-7']; matched_chebi_ids=[]; candidate_pubchem_cids=[88482, 244430, 91752132]; selected_pubchem_cids=[88482]; 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 |
| 248,777 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H15O4PS3… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H15O4PS3… | rdkit_pre_consensus from 'CCS(=O)(=O)CCSP(=S)(OC)OC'; added: molecular_mass, monoisotopic_mass |
| 270,698 | consensus_match | altLabel | [] | [{"@value":"Ethanethiol, 2-(ethylsulfonyl)-, <em>S</em>-ester with <em>O</em>,<em>O</em>-dimethyl phosphorodithioate","… | group_key=phosphorodithioicacid,s-[2-(ethylsulfonyl)ethy||dimension=Environmental > media=Ground > geography=Unknown; cas=20301-63-7; added Common Chemistry CAS names as altLabel: Ethanethiol, 2-(ethylsulfonyl)-, <em>S</em>-ester with <em>O</em>,<em>O</em>-dimethyl phosphorodithioate, Phosphorodithioic acid, <em>S</em>-[2-(ethylsulfonyl)ethyl] <em>O</em>,<em>O</em>-dimethyl ester, Thiometon sulfone; object_uuid=fo-c911165518f5952a |
| 270,699 | consensus_match | cas_match_labels | — | {"20301-63-7":"exactMatch"} | group_key=phosphorodithioicacid,s-[2-(ethylsulfonyl)ethy||dimension=Environmental > media=Ground > geography=Unknown; group_sources=[]; cas_sources={'20301-63-7': []}; assigned CAS labels from group consensus; object_uuid=fo-c911165518f5952a: {'20301-63-7': 'exactMatch'} |
| 273,896 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H15O4PS3… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H15O4PS3… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Phosphorodithioic acid, S-[2-(ethylsulfonyl)ethyl] O,O-dimethyl ester' |
| 280,288 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H15O4PS3… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H15O4PS3… | rdkit_post_consensus from 'CCS(=O)(=O)CCSP(=S)(OC)OC'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 292,040 | dedupe_altlabels | altLabel | [{"@value":"Ethanethiol, 2-(ethylsulfonyl)-, <em>S</em>-ester with <em>O</em>,<em>O</em>-dimethyl phosphorodithioate","… | [{"@value":"Ethanethiol, 2-(ethylsulfonyl)-, S-ester with O,O-dimethyl phosphorodithioate","@language":"en","source":{"… | Deduplicated altLabel values and removed entries matching prefLabel |
| 294,560 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/01f7ade9-f0b8-… | associations resolved on the elementary layer |
| 388,181 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H15O4PS3… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H15O4PS3… | typed the way the ontology types it |
| 394,806 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | 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/20260820T1812399309960000/1654 | prefLabel | ef:agent/bootstrap_labels | ef:flow/01f7ade9-f0b8-444b-bbea-c69d6a7696e7/v0 | ef:flow/01f7ade9-f0b8-444b-bbea-c69d6a7696e7/v1 |
| ef:activity/change/20260820T1812399309960000/1655 | name | ef:agent/bootstrap_labels | ef:flow/01f7ade9-f0b8-444b-bbea-c69d6a7696e7/v1 | ef:flow/01f7ade9-f0b8-444b-bbea-c69d6a7696e7/v2 |
| ef:activity/change/20260820T1812399309960000/1656 | synonyms | ef:agent/bootstrap_labels | ef:flow/01f7ade9-f0b8-444b-bbea-c69d6a7696e7/v2 | ef:flow/01f7ade9-f0b8-444b-bbea-c69d6a7696e7/v3 |
| ef:activity/change/20260820T1812399309960000/27046 | context | ef:agent/default_context_mapping | ef:flow/01f7ade9-f0b8-444b-bbea-c69d6a7696e7/v3 | ef:flow/01f7ade9-f0b8-444b-bbea-c69d6a7696e7/v4 |
| ef:activity/change/20260820T1812399309960000/27047 | context_iri | ef:agent/default_context_mapping | ef:flow/01f7ade9-f0b8-444b-bbea-c69d6a7696e7/v4 | ef:flow/01f7ade9-f0b8-444b-bbea-c69d6a7696e7/v5 |
| ef:activity/change/20260820T1812399309960000/213889 | unit_iri | ef:agent/unit_normalization | ef:flow/01f7ade9-f0b8-444b-bbea-c69d6a7696e7/v5 | ef:flow/01f7ade9-f0b8-444b-bbea-c69d6a7696e7/v6 |
| ef:activity/change/20260820T1812399309960000/221475 | prefLabel | ef:agent/normalize_name_case | ef:flow/01f7ade9-f0b8-444b-bbea-c69d6a7696e7/v6 | ef:flow/01f7ade9-f0b8-444b-bbea-c69d6a7696e7/v7 |
| ef:activity/change/20260820T1812399309960000/228773 | properties | ef:agent/enrich_references | ef:flow/01f7ade9-f0b8-444b-bbea-c69d6a7696e7/v7 | ef:flow/01f7ade9-f0b8-444b-bbea-c69d6a7696e7/v8 |
| ef:activity/change/20260820T1812399309960000/228774 | skos_definition | ef:agent/enrich_references | ef:flow/01f7ade9-f0b8-444b-bbea-c69d6a7696e7/v8 | ef:flow/01f7ade9-f0b8-444b-bbea-c69d6a7696e7/v9 |
| ef:activity/change/20260820T1812399309960000/228775 | references | ef:agent/enrich_references | ef:flow/01f7ade9-f0b8-444b-bbea-c69d6a7696e7/v9 | ef:flow/01f7ade9-f0b8-444b-bbea-c69d6a7696e7/v10 |
| ef:activity/change/20260820T1812399309960000/248777 | properties | ef:agent/rdkit_pre_consensus | ef:flow/01f7ade9-f0b8-444b-bbea-c69d6a7696e7/v10 | ef:flow/01f7ade9-f0b8-444b-bbea-c69d6a7696e7/v11 |
| ef:activity/change/20260820T1812399309960000/270698 | altLabel | ef:agent/consensus_match | ef:flow/01f7ade9-f0b8-444b-bbea-c69d6a7696e7/v11 | ef:flow/01f7ade9-f0b8-444b-bbea-c69d6a7696e7/v12 |
| ef:activity/change/20260820T1812399309960000/270699 | cas_match_labels | ef:agent/consensus_match | ef:flow/01f7ade9-f0b8-444b-bbea-c69d6a7696e7/v12 | ef:flow/01f7ade9-f0b8-444b-bbea-c69d6a7696e7/v13 |
| ef:activity/change/20260820T1812399309960000/273896 | properties | ef:agent/opsin_iupac | ef:flow/01f7ade9-f0b8-444b-bbea-c69d6a7696e7/v13 | ef:flow/01f7ade9-f0b8-444b-bbea-c69d6a7696e7/v14 |
| ef:activity/change/20260820T1812399309960000/280288 | properties | ef:agent/rdkit_post_consensus | ef:flow/01f7ade9-f0b8-444b-bbea-c69d6a7696e7/v14 | ef:flow/01f7ade9-f0b8-444b-bbea-c69d6a7696e7/v15 |
| ef:activity/change/20260820T1812399309960000/292040 | altLabel | ef:agent/dedupe_altlabels | ef:flow/01f7ade9-f0b8-444b-bbea-c69d6a7696e7/v15 | ef:flow/01f7ade9-f0b8-444b-bbea-c69d6a7696e7/v16 |
| ef:activity/change/20260820T1812399309960000/294560 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/01f7ade9-f0b8-444b-bbea-c69d6a7696e7/v16 | ef:flow/01f7ade9-f0b8-444b-bbea-c69d6a7696e7/v17 |
| ef:activity/change/20260820T1812399309960000/388181 | properties | ef:agent/normalise_property_values | ef:flow/01f7ade9-f0b8-444b-bbea-c69d6a7696e7/v17 | ef:flow/01f7ade9-f0b8-444b-bbea-c69d6a7696e7/v18 |
| ef:activity/change/20260820T1812399309960000/394806 | types | ef:agent/link_flows_to_their_substance | ef:flow/01f7ade9-f0b8-444b-bbea-c69d6a7696e7/v18 | ef:flow/01f7ade9-f0b8-444b-bbea-c69d6a7696e7/v19 |