3-(diisobutoxy-thiophosphorylsulfanyl)-2-methyl-propionic Acid
Everything that changed this flow. Back to the flow
62a6da52-24d9-41e9-9e0d-667ab6ff698b
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=3-(diisobutoxy-thiophosphorylsulfanyl)-2-methyl-propionicacid||dimension=Environmental > media=Water > water_body=Surface water; group_sources=[]; cas_sources={'268567-32-4': []}; assigned CAS labels from group consensus; object_uuid=fo-aa771a6147153406: {'268567-32-4': '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=['268567-32-4']; matched_chebi_ids=[]; candidate_pubchem_cids=[57357853, 90471233]; selected_pubchem_cids=[57357853]; 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 |
|---|---|---|---|---|---|
| 4,969 | bootstrap_labels | prefLabel | — | [{"@value":"3-(diisobutoxy-thiophosphorylsulfanyl)-2-methyl-propionic acid","@language":"en","source":{"prov:wasGenerat… | Bootstrapped prefLabel from legacy name field |
| 4,970 | bootstrap_labels | name | 3-(diisobutoxy-thiophosphorylsulfanyl)-2-methyl-propionic acid | — | Purged legacy name field to enforce prefLabel usage |
| 4,971 | bootstrap_labels | synonyms | ["organic","cg37-1586"] | [] | Removed legacy synonyms field in favor of structured labels |
| 108,394 | 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 |
| 108,395 | 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 |
| 214,999 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 222,243 | normalize_name_case | prefLabel | [{"@value":"3-(diisobutoxy-thiophosphorylsulfanyl)-2-methyl-propionic acid","@language":"en","source":{"prov:wasGenerat… | [{"@value":"3-(diisobutoxy-thiophosphorylsulfanyl)-2-methyl-propionic Acid","@language":"en","source":{"prov:wasGenerat… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 231,957 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H25O4PS… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 231,958 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 231,959 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.782.072E","provenance":{"prov:wasGeneratedBy":"enrich_refer… | Added references with provenance; cas_numbers=['268567-32-4']; matched_chebi_ids=[]; candidate_pubchem_cids=[57357853, 90471233]; selected_pubchem_cids=[57357853]; 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 |
| 249,690 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H25O4PS… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H25O4PS… | rdkit_pre_consensus from 'CC(C)COP(=S)(OCC(C)C)SCC(C)C(=O)O'; added: molecular_mass, monoisotopic_mass |
| 261,797 | consensus_match | altLabel | [] | [{"@value":"3-(<em>O</em>,<em>O</em>-Diisobutyldithiophosphoryl)-2-methylpropanoic acid","@language":"en","source":{"pr… | group_key=3-(diisobutoxy-thiophosphorylsulfanyl)-2-methyl-propionicacid||dimension=Environmental > media=Water > water_body=Surface water; cas=268567-32-4; added Common Chemistry CAS names as altLabel: 3-(<em>O</em>,<em>O</em>-Diisobutyldithiophosphoryl)-2-methylpropanoic acid, 3-[[Bis(2-methylpropoxy)phosphinothioyl]thio]-2-methylpropanoic acid, Propanoic acid, 3-[[bis(2-methylpropoxy)phosphinothioyl]thio]-2-methyl-; object_uuid=fo-aa771a6147153406 |
| 261,798 | consensus_match | cas_match_labels | — | {"268567-32-4":"exactMatch"} | group_key=3-(diisobutoxy-thiophosphorylsulfanyl)-2-methyl-propionicacid||dimension=Environmental > media=Water > water_body=Surface water; group_sources=[]; cas_sources={'268567-32-4': []}; assigned CAS labels from group consensus; object_uuid=fo-aa771a6147153406: {'268567-32-4': 'exactMatch'} |
| 274,825 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H25O4PS… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H25O4PS… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '3-(diisobutoxy-thiophosphorylsulfanyl)-2-methyl-propionic Acid' |
| 281,296 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H25O4PS… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H25O4PS… | rdkit_post_consensus from 'CC(C)COP(=S)(OCC(C)C)SCC(C)C(=O)O'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 292,231 | dedupe_altlabels | altLabel | [{"@value":"3-(<em>O</em>,<em>O</em>-Diisobutyldithiophosphoryl)-2-methylpropanoic acid","@language":"en","source":{"pr… | [{"@value":"3-(O,O-Diisobutyldithiophosphoryl)-2-methylpropanoic acid","@language":"en","source":{"prov:wasGeneratedBy"… | Deduplicated altLabel values and removed entries matching prefLabel |
| 335,195 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/62a6da52-24d9-… | associations resolved on the elementary layer |
| 389,130 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H25O4PS… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H25O4PS… | typed the way the ontology types it |
| 396,156 | 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/20260821T1302361922970000/4969 | prefLabel | ef:agent/bootstrap_labels | ef:flow/62a6da52-24d9-41e9-9e0d-667ab6ff698b/v0 | ef:flow/62a6da52-24d9-41e9-9e0d-667ab6ff698b/v1 |
| ef:activity/change/20260821T1302361922970000/4970 | name | ef:agent/bootstrap_labels | ef:flow/62a6da52-24d9-41e9-9e0d-667ab6ff698b/v1 | ef:flow/62a6da52-24d9-41e9-9e0d-667ab6ff698b/v2 |
| ef:activity/change/20260821T1302361922970000/4971 | synonyms | ef:agent/bootstrap_labels | ef:flow/62a6da52-24d9-41e9-9e0d-667ab6ff698b/v2 | ef:flow/62a6da52-24d9-41e9-9e0d-667ab6ff698b/v3 |
| ef:activity/change/20260821T1302361922970000/108394 | context | ef:agent/default_context_mapping | ef:flow/62a6da52-24d9-41e9-9e0d-667ab6ff698b/v3 | ef:flow/62a6da52-24d9-41e9-9e0d-667ab6ff698b/v4 |
| ef:activity/change/20260821T1302361922970000/108395 | context_iri | ef:agent/default_context_mapping | ef:flow/62a6da52-24d9-41e9-9e0d-667ab6ff698b/v4 | ef:flow/62a6da52-24d9-41e9-9e0d-667ab6ff698b/v5 |
| ef:activity/change/20260821T1302361922970000/214999 | unit_iri | ef:agent/unit_normalization | ef:flow/62a6da52-24d9-41e9-9e0d-667ab6ff698b/v5 | ef:flow/62a6da52-24d9-41e9-9e0d-667ab6ff698b/v6 |
| ef:activity/change/20260821T1302361922970000/222243 | prefLabel | ef:agent/normalize_name_case | ef:flow/62a6da52-24d9-41e9-9e0d-667ab6ff698b/v6 | ef:flow/62a6da52-24d9-41e9-9e0d-667ab6ff698b/v7 |
| ef:activity/change/20260821T1302361922970000/231957 | properties | ef:agent/enrich_references | ef:flow/62a6da52-24d9-41e9-9e0d-667ab6ff698b/v7 | ef:flow/62a6da52-24d9-41e9-9e0d-667ab6ff698b/v8 |
| ef:activity/change/20260821T1302361922970000/231958 | skos_definition | ef:agent/enrich_references | ef:flow/62a6da52-24d9-41e9-9e0d-667ab6ff698b/v8 | ef:flow/62a6da52-24d9-41e9-9e0d-667ab6ff698b/v9 |
| ef:activity/change/20260821T1302361922970000/231959 | references | ef:agent/enrich_references | ef:flow/62a6da52-24d9-41e9-9e0d-667ab6ff698b/v9 | ef:flow/62a6da52-24d9-41e9-9e0d-667ab6ff698b/v10 |
| ef:activity/change/20260821T1302361922970000/249690 | properties | ef:agent/rdkit_pre_consensus | ef:flow/62a6da52-24d9-41e9-9e0d-667ab6ff698b/v10 | ef:flow/62a6da52-24d9-41e9-9e0d-667ab6ff698b/v11 |
| ef:activity/change/20260821T1302361922970000/261797 | altLabel | ef:agent/consensus_match | ef:flow/62a6da52-24d9-41e9-9e0d-667ab6ff698b/v11 | ef:flow/62a6da52-24d9-41e9-9e0d-667ab6ff698b/v12 |
| ef:activity/change/20260821T1302361922970000/261798 | cas_match_labels | ef:agent/consensus_match | ef:flow/62a6da52-24d9-41e9-9e0d-667ab6ff698b/v12 | ef:flow/62a6da52-24d9-41e9-9e0d-667ab6ff698b/v13 |
| ef:activity/change/20260821T1302361922970000/274825 | properties | ef:agent/opsin_iupac | ef:flow/62a6da52-24d9-41e9-9e0d-667ab6ff698b/v13 | ef:flow/62a6da52-24d9-41e9-9e0d-667ab6ff698b/v14 |
| ef:activity/change/20260821T1302361922970000/281296 | properties | ef:agent/rdkit_post_consensus | ef:flow/62a6da52-24d9-41e9-9e0d-667ab6ff698b/v14 | ef:flow/62a6da52-24d9-41e9-9e0d-667ab6ff698b/v15 |
| ef:activity/change/20260821T1302361922970000/292231 | altLabel | ef:agent/dedupe_altlabels | ef:flow/62a6da52-24d9-41e9-9e0d-667ab6ff698b/v15 | ef:flow/62a6da52-24d9-41e9-9e0d-667ab6ff698b/v16 |
| ef:activity/change/20260821T1302361922970000/335195 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/62a6da52-24d9-41e9-9e0d-667ab6ff698b/v16 | ef:flow/62a6da52-24d9-41e9-9e0d-667ab6ff698b/v17 |
| ef:activity/change/20260821T1302361922970000/389130 | properties | ef:agent/normalise_property_values | ef:flow/62a6da52-24d9-41e9-9e0d-667ab6ff698b/v17 | ef:flow/62a6da52-24d9-41e9-9e0d-667ab6ff698b/v18 |
| ef:activity/change/20260821T1302361922970000/396156 | types | ef:agent/link_flows_to_their_substance | ef:flow/62a6da52-24d9-41e9-9e0d-667ab6ff698b/v18 | ef:flow/62a6da52-24d9-41e9-9e0d-667ab6ff698b/v19 |