3-[(3-sulfanylbutanoyl)oxy]-2,2-bis{[(3-sulfanylbutanoyl)oxy]methyl}propyl 3-sulfanylbutanoate
Everything that changed this flow. Back to the flow
7e1d1ca8-9e33-4029-afb6-cbbc8b2e58bd
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, strip_catalogue_altlabels | Removed 2 catalogue altLabel value(s): 'PE 01' (grade code), 'PE 1' (grade code) |
| cas_match_labels | 1 | consensus_match | group_key=3-[(3-sulfanylbutanoyl)oxy]-2,2-bis{[(3-sulfanylbutanoyl)oxy]methyl}propyl3-sulfanylbutanoate||dimension=Environmental > media=Water > water_body=Long-term; group_sources=[]; cas_sources={'31775-89-0': []}; assigned CAS labels from group consensus; object_uuid=fo-33f66e9032e4bfd6: {'31775-89-0': '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 non-agricultural soil |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to non-agricultural soil |
| 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=['31775-89-0']; matched_chebi_ids=[]; candidate_pubchem_cids=[54576326]; selected_pubchem_cids=[54576326]; 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 |
|---|---|---|---|---|---|
| 10,543 | bootstrap_labels | prefLabel | — | [{"@value":"3-[(3-sulfanylbutanoyl)oxy]-2,2-bis{[(3-sulfanylbutanoyl)oxy]methyl}propyl 3-sulfanylbutanoate","@language"… | Bootstrapped prefLabel from legacy name field |
| 10,544 | bootstrap_labels | name | 3-[(3-sulfanylbutanoyl)oxy]-2,2-bis{[(3-sulfanylbutanoyl)oxy]methyl}propyl 3-sulfanylbutanoate | — | Purged legacy name field to enforce prefLabel usage |
| 10,545 | bootstrap_labels | synonyms | ["organic","karenzmtpe1","pe1-vm"] | [] | Removed legacy synonyms field in favor of structured labels |
| 124,798 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Ground","geography":"Non-agricultural"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to non-agricultural soil |
| 124,799 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-grou-noag | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to non-agricultural soil |
| 216,837 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 237,222 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C21H36O8S4… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 237,223 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 237,224 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.389.558G","provenance":{"prov:wasGeneratedBy":"enrich_refer… | Added references with provenance; cas_numbers=['31775-89-0']; matched_chebi_ids=[]; candidate_pubchem_cids=[54576326]; selected_pubchem_cids=[54576326]; 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 |
| 251,196 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C21H36O8S4… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C21H36O8S4… | rdkit_pre_consensus from 'CC(CC(=O)OCC(COC(=O)CC(C)S)(COC(=O)CC(C)S)COC(=O)CC(C)S)S'; added: molecular_mass, monoisotopic_mass |
| 261,848 | consensus_match | altLabel | [] | [{"@value":"Butanoic acid, 3-mercapto-, 1,1′-[2,2-bis[(3-mercapto-1-oxobutoxy)methyl]-1,3-propanediyl] ester","@languag… | group_key=3-[(3-sulfanylbutanoyl)oxy]-2,2-bis{[(3-sulfanylbutanoyl)oxy]methyl}propyl3-sulfanylbutanoate||dimension=Environmental > media=Water > water_body=Long-term; cas=31775-89-0; added Common Chemistry CAS names as altLabel: Butanoic acid, 3-mercapto-, 1,1′-[2,2-bis[(3-mercapto-1-oxobutoxy)methyl]-1,3-propanediyl] ester, Butanoic acid, 3-mercapto-, 2,2-bis[(3-mercapto-1-oxobutoxy)methyl]-1,3-propanediyl ester, Butyric acid, 3-mercapto-, neopentanetetrayl ester, Karenz MT, Karenz MT PE1, Karenz MT-PE, Karenz MT-PE 1, Karenz MT-PE 1AG, Karenz PE 01, Karenz PE 1, Karenz PT-PE 1, MT-PE 1, Omnimer PE 1, PE 01, PE 1, Pentaerythritol tetrakis(3-mercaptobutanate), Pentaerythritol tetrakis(3-mercaptobutanoate), Pentaerythritol tetrakis(3-mercaptobutylate), Pentaerythritol tetrakis(3-mercaptobutyrate), Tetrakis(3-mercaptobutanoic acid) pentaerythritol ester; object_uuid=fo-33f66e9032e4bfd6 |
| 261,849 | consensus_match | cas_match_labels | — | {"31775-89-0":"exactMatch"} | group_key=3-[(3-sulfanylbutanoyl)oxy]-2,2-bis{[(3-sulfanylbutanoyl)oxy]methyl}propyl3-sulfanylbutanoate||dimension=Environmental > media=Water > water_body=Long-term; group_sources=[]; cas_sources={'31775-89-0': []}; assigned CAS labels from group consensus; object_uuid=fo-33f66e9032e4bfd6: {'31775-89-0': 'exactMatch'} |
| 276,381 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C21H36O8S4… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C21H36O8S4… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '3-[(3-sulfanylbutanoyl)oxy]-2,2-bis{[(3-sulfanylbutanoyl)oxy]methyl}propyl 3-sulfanylbutanoate' |
| 282,981 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C21H36O8S4… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C21H36O8S4… | rdkit_post_consensus from 'CC(S)CC(=O)OCC(COC(=O)CC(C)S)(COC(=O)CC(C)S)COC(=O)CC(C)S'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 289,453 | strip_catalogue_altlabels | altLabel | [{"@value":"Butanoic acid, 3-mercapto-, 1,1′-[2,2-bis[(3-mercapto-1-oxobutoxy)methyl]-1,3-propanediyl] ester","@languag… | [{"@value":"Butanoic acid, 3-mercapto-, 1,1′-[2,2-bis[(3-mercapto-1-oxobutoxy)methyl]-1,3-propanediyl] ester","@languag… | Removed 2 catalogue altLabel value(s): 'PE 01' (grade code), 'PE 1' (grade code) |
| 343,401 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/7e1d1ca8-9e33-… | associations resolved on the elementary layer |
| 390,733 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C21H36O8S4… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C21H36O8S4… | typed the way the ontology types it |
| 398,485 | 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/20260821T1554374006150000/10543 | prefLabel | ef:agent/bootstrap_labels | ef:flow/7e1d1ca8-9e33-4029-afb6-cbbc8b2e58bd/v0 | ef:flow/7e1d1ca8-9e33-4029-afb6-cbbc8b2e58bd/v1 |
| ef:activity/change/20260821T1554374006150000/10544 | name | ef:agent/bootstrap_labels | ef:flow/7e1d1ca8-9e33-4029-afb6-cbbc8b2e58bd/v1 | ef:flow/7e1d1ca8-9e33-4029-afb6-cbbc8b2e58bd/v2 |
| ef:activity/change/20260821T1554374006150000/10545 | synonyms | ef:agent/bootstrap_labels | ef:flow/7e1d1ca8-9e33-4029-afb6-cbbc8b2e58bd/v2 | ef:flow/7e1d1ca8-9e33-4029-afb6-cbbc8b2e58bd/v3 |
| ef:activity/change/20260821T1554374006150000/124798 | context | ef:agent/default_context_mapping | ef:flow/7e1d1ca8-9e33-4029-afb6-cbbc8b2e58bd/v3 | ef:flow/7e1d1ca8-9e33-4029-afb6-cbbc8b2e58bd/v4 |
| ef:activity/change/20260821T1554374006150000/124799 | context_iri | ef:agent/default_context_mapping | ef:flow/7e1d1ca8-9e33-4029-afb6-cbbc8b2e58bd/v4 | ef:flow/7e1d1ca8-9e33-4029-afb6-cbbc8b2e58bd/v5 |
| ef:activity/change/20260821T1554374006150000/216837 | unit_iri | ef:agent/unit_normalization | ef:flow/7e1d1ca8-9e33-4029-afb6-cbbc8b2e58bd/v5 | ef:flow/7e1d1ca8-9e33-4029-afb6-cbbc8b2e58bd/v6 |
| ef:activity/change/20260821T1554374006150000/237222 | properties | ef:agent/enrich_references | ef:flow/7e1d1ca8-9e33-4029-afb6-cbbc8b2e58bd/v6 | ef:flow/7e1d1ca8-9e33-4029-afb6-cbbc8b2e58bd/v7 |
| ef:activity/change/20260821T1554374006150000/237223 | skos_definition | ef:agent/enrich_references | ef:flow/7e1d1ca8-9e33-4029-afb6-cbbc8b2e58bd/v7 | ef:flow/7e1d1ca8-9e33-4029-afb6-cbbc8b2e58bd/v8 |
| ef:activity/change/20260821T1554374006150000/237224 | references | ef:agent/enrich_references | ef:flow/7e1d1ca8-9e33-4029-afb6-cbbc8b2e58bd/v8 | ef:flow/7e1d1ca8-9e33-4029-afb6-cbbc8b2e58bd/v9 |
| ef:activity/change/20260821T1554374006150000/251196 | properties | ef:agent/rdkit_pre_consensus | ef:flow/7e1d1ca8-9e33-4029-afb6-cbbc8b2e58bd/v9 | ef:flow/7e1d1ca8-9e33-4029-afb6-cbbc8b2e58bd/v10 |
| ef:activity/change/20260821T1554374006150000/261848 | altLabel | ef:agent/consensus_match | ef:flow/7e1d1ca8-9e33-4029-afb6-cbbc8b2e58bd/v10 | ef:flow/7e1d1ca8-9e33-4029-afb6-cbbc8b2e58bd/v11 |
| ef:activity/change/20260821T1554374006150000/261849 | cas_match_labels | ef:agent/consensus_match | ef:flow/7e1d1ca8-9e33-4029-afb6-cbbc8b2e58bd/v11 | ef:flow/7e1d1ca8-9e33-4029-afb6-cbbc8b2e58bd/v12 |
| ef:activity/change/20260821T1554374006150000/276381 | properties | ef:agent/opsin_iupac | ef:flow/7e1d1ca8-9e33-4029-afb6-cbbc8b2e58bd/v12 | ef:flow/7e1d1ca8-9e33-4029-afb6-cbbc8b2e58bd/v13 |
| ef:activity/change/20260821T1554374006150000/282981 | properties | ef:agent/rdkit_post_consensus | ef:flow/7e1d1ca8-9e33-4029-afb6-cbbc8b2e58bd/v13 | ef:flow/7e1d1ca8-9e33-4029-afb6-cbbc8b2e58bd/v14 |
| ef:activity/change/20260821T1554374006150000/289453 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/7e1d1ca8-9e33-4029-afb6-cbbc8b2e58bd/v14 | ef:flow/7e1d1ca8-9e33-4029-afb6-cbbc8b2e58bd/v15 |
| ef:activity/change/20260821T1554374006150000/343401 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/7e1d1ca8-9e33-4029-afb6-cbbc8b2e58bd/v15 | ef:flow/7e1d1ca8-9e33-4029-afb6-cbbc8b2e58bd/v16 |
| ef:activity/change/20260821T1554374006150000/390733 | properties | ef:agent/normalise_property_values | ef:flow/7e1d1ca8-9e33-4029-afb6-cbbc8b2e58bd/v16 | ef:flow/7e1d1ca8-9e33-4029-afb6-cbbc8b2e58bd/v17 |
| ef:activity/change/20260821T1554374006150000/398485 | types | ef:agent/link_flows_to_their_substance | ef:flow/7e1d1ca8-9e33-4029-afb6-cbbc8b2e58bd/v17 | ef:flow/7e1d1ca8-9e33-4029-afb6-cbbc8b2e58bd/v18 |