3-[(3-sulfanylpropanoyl)oxy]-2,2-bis{[(3-sulfanylpropanoyl)oxy]methyl}propyl 3-sulfanylpropanoate
Everything that changed this flow. Back to the flow
750aa305-68cc-488e-9314-27ef5e820827
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 14 catalogue altLabel value(s): 'EH 316' (grade code), 'EH 317' (grade code), 'Jingbo 402' (trade name), 'PEMP 20P' (grade code), 'POS 405' (grade code), 'Polythiol 402' (trade name), 'Polythiol 405' (trade name), 'Q 43' (grade code), 'Q 43 (polythiol)' (grade code), 'QX 40' (grade code), 'S 4P' (grade code), 'Thiocure 331' (trade name), 'Thiocure 340' (trade name), 'Thiocure 440' (trade name) |
| cas_match_labels | 1 | consensus_match | group_key=3-[(3-sulfanylpropanoyl)oxy]-2,2-bis{[(3-sulfanylpropanoyl)oxy]methyl}propyl3-sulfanylpropanoate||dimension=Environmental > media=Air > strata=Long-term; group_sources=['ec_inventory', 'pubchem']; cas_sources={'7575-23-7': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-eb01fcd11ef7a179: {'7575-23-7': '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 air > Emissions to air, indoor |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, indoor |
| 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=['7575-23-7']; matched_chebi_ids=[]; candidate_pubchem_cids=[82056, 53445268]; selected_pubchem_cids=[82056]; 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 |
|---|---|---|---|---|---|
| 9,985 | bootstrap_labels | prefLabel | — | [{"@value":"3-[(3-sulfanylpropanoyl)oxy]-2,2-bis{[(3-sulfanylpropanoyl)oxy]methyl}propyl 3-sulfanylpropanoate","@langua… | Bootstrapped prefLabel from legacy name field |
| 9,986 | bootstrap_labels | name | 3-[(3-sulfanylpropanoyl)oxy]-2,2-bis{[(3-sulfanylpropanoyl)oxy]methyl}propyl 3-sulfanylpropanoate | — | Purged legacy name field to enforce prefLabel usage |
| 9,987 | bootstrap_labels | synonyms | ["organic","pentaerythritoltetrakis(3-mercaptopropionate)","pet-3-mp","petmp","thiocureâ®petmpcs,pentaerytritoltetra(3-… | [] | Removed legacy synonyms field in favor of structured labels |
| 119,468 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","indoor":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, indoor |
| 119,469 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-indr-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, indoor |
| 216,656 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 236,716 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C17H28O8S4… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 236,717 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 236,718 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J39.159J","provenance":{"prov:wasGeneratedBy":"enrich_referenc… | Added references with provenance; cas_numbers=['7575-23-7']; matched_chebi_ids=[]; candidate_pubchem_cids=[82056, 53445268]; selected_pubchem_cids=[82056]; 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 |
| 251,059 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C17H28O8S4… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C17H28O8S4… | rdkit_pre_consensus from 'C(CS)C(=O)OCC(COC(=O)CCS)(COC(=O)CCS)COC(=O)CCS'; added: molecular_mass, monoisotopic_mass |
| 261,848 | consensus_match | altLabel | [] | [{"@value":"4SH","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-f… | group_key=3-[(3-sulfanylpropanoyl)oxy]-2,2-bis{[(3-sulfanylpropanoyl)oxy]methyl}propyl3-sulfanylpropanoate||dimension=Environmental > media=Air > strata=Long-term; cas=7575-23-7; added Common Chemistry CAS names as altLabel: 4SH, Adeka EH 316, Adeka EH 317, Adeka Hardener EH 317, BD 112356, EH 316, EH 317, Epicure QX 40, Epomate QX 40, JER Cure QX 40, Jingbo 402, Mercaptate Q 43 ester, PBMP, PC-TOL M 490, PEMP, PEMP 2-20P, PEMP 20P, PEMP-II 20P, PEMP-LV, PET 3MP, PETMP, PETP, PETP (polythiol), POS 405, PTMP, PTMP (accelerator), Pentaerythritol (3-mercaptopropionate), Pentaerythritol mercaptopropionate, Pentaerythritol terakis(3-mercaptopropionate), Pentaerythritol tetra(3-mercaptopropionate), Pentaerythritol tetra(mercaptopropionate), Pentaerythritol tetra(β-thiopropionate), Pentaerythritol tetra-β-mercaptopropionate, Pentaerythritol tetrakis(3-mercaptopropanoate), Pentaerythritol tetrakis(3-mercaptopropionoate), Pentaerythritol tetrakis(3-mercaptoproponiate), Pentaerythritol tetrakis(3-thiopropionate), Pentaerythritol tetrakis(mercaptopropionate), Pentaerythritol tetrakis(β-mercaptopropionate), Pentaerythritol tetrakis(β-thiopropionate), Pentaerythritol, tetrakis(3-mercaptopropionate), Pentaerythrityl tetrakis(β-mercaptopropionate), Polythiol 402, Polythiol 405, Propanoic acid, 3-mercapto-, 1,1′-[2,2-bis[(3-mercapto-1-oxopropoxy)methyl]-1,3-propanediyl] ester, Propanoic acid, 3-mercapto-, 2,2-bis[(3-mercapto-1-oxopropoxy)methyl]-1,3-propanediyl ester, Propionic acid, 3-mercapto-, neopentanetetrayl ester, Q 43, Q 43 (polythiol), QX 40, S 4P, Tetrakis(3-mercaptopropionate)pentaerythritol, Tetrakis(3-mercaptopropionic acid)pentaerythritol ester, Tetramethylolmethane tetramercaptopropionate, Thiocure 331, Thiocure 340, Thiocure 440, Thiocure PETMP, Thiocure PETMP Low Odor, [3-(3-Sulfanylpropanoyloxy)-2,2-bis(3-sulfanylpropanoyloxymethyl)propyl] 3-sulfanylpropanoate, β-Mercaptopropionic acid tetraester with pentaerythritol; object_uuid=fo-eb01fcd11ef7a179 |
| 261,849 | consensus_match | cas_match_labels | — | {"7575-23-7":"exactMatch"} | group_key=3-[(3-sulfanylpropanoyl)oxy]-2,2-bis{[(3-sulfanylpropanoyl)oxy]methyl}propyl3-sulfanylpropanoate||dimension=Environmental > media=Air > strata=Long-term; group_sources=['ec_inventory', 'pubchem']; cas_sources={'7575-23-7': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-eb01fcd11ef7a179: {'7575-23-7': 'exactMatch'} |
| 276,243 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C17H28O8S4… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C17H28O8S4… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '3-[(3-sulfanylpropanoyl)oxy]-2,2-bis{[(3-sulfanylpropanoyl)oxy]methyl}propyl 3-sulfanylpropanoate' |
| 282,830 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C17H28O8S4… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C17H28O8S4… | rdkit_post_consensus from 'O=C(CCS)OCC(COC(=O)CCS)(COC(=O)CCS)COC(=O)CCS'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 289,343 | strip_catalogue_altlabels | altLabel | [{"@value":"4SH","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-f… | [{"@value":"4SH","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-f… | Removed 14 catalogue altLabel value(s): 'EH 316' (grade code), 'EH 317' (grade code), 'Jingbo 402' (trade name), 'PEMP 20P' (grade code), 'POS 405' (grade code), 'Polythiol 402' (trade name), 'Polythiol 405' (trade name), 'Q 43' (grade code), 'Q 43 (polythiol)' (grade code), 'QX 40' (grade code), 'S 4P' (grade code), 'Thiocure 331' (trade name), 'Thiocure 340' (trade name), 'Thiocure 440' (trade name) |
| 340,730 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/750aa305-68cc-… | associations resolved on the elementary layer |
| 390,587 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C17H28O8S4… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C17H28O8S4… | typed the way the ontology types it |
| 398,259 | 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/20260821T1122181958110000/9985 | prefLabel | ef:agent/bootstrap_labels | ef:flow/750aa305-68cc-488e-9314-27ef5e820827/v0 | ef:flow/750aa305-68cc-488e-9314-27ef5e820827/v1 |
| ef:activity/change/20260821T1122181958110000/9986 | name | ef:agent/bootstrap_labels | ef:flow/750aa305-68cc-488e-9314-27ef5e820827/v1 | ef:flow/750aa305-68cc-488e-9314-27ef5e820827/v2 |
| ef:activity/change/20260821T1122181958110000/9987 | synonyms | ef:agent/bootstrap_labels | ef:flow/750aa305-68cc-488e-9314-27ef5e820827/v2 | ef:flow/750aa305-68cc-488e-9314-27ef5e820827/v3 |
| ef:activity/change/20260821T1122181958110000/119468 | context | ef:agent/default_context_mapping | ef:flow/750aa305-68cc-488e-9314-27ef5e820827/v3 | ef:flow/750aa305-68cc-488e-9314-27ef5e820827/v4 |
| ef:activity/change/20260821T1122181958110000/119469 | context_iri | ef:agent/default_context_mapping | ef:flow/750aa305-68cc-488e-9314-27ef5e820827/v4 | ef:flow/750aa305-68cc-488e-9314-27ef5e820827/v5 |
| ef:activity/change/20260821T1122181958110000/216656 | unit_iri | ef:agent/unit_normalization | ef:flow/750aa305-68cc-488e-9314-27ef5e820827/v5 | ef:flow/750aa305-68cc-488e-9314-27ef5e820827/v6 |
| ef:activity/change/20260821T1122181958110000/236716 | properties | ef:agent/enrich_references | ef:flow/750aa305-68cc-488e-9314-27ef5e820827/v6 | ef:flow/750aa305-68cc-488e-9314-27ef5e820827/v7 |
| ef:activity/change/20260821T1122181958110000/236717 | skos_definition | ef:agent/enrich_references | ef:flow/750aa305-68cc-488e-9314-27ef5e820827/v7 | ef:flow/750aa305-68cc-488e-9314-27ef5e820827/v8 |
| ef:activity/change/20260821T1122181958110000/236718 | references | ef:agent/enrich_references | ef:flow/750aa305-68cc-488e-9314-27ef5e820827/v8 | ef:flow/750aa305-68cc-488e-9314-27ef5e820827/v9 |
| ef:activity/change/20260821T1122181958110000/251059 | properties | ef:agent/rdkit_pre_consensus | ef:flow/750aa305-68cc-488e-9314-27ef5e820827/v9 | ef:flow/750aa305-68cc-488e-9314-27ef5e820827/v10 |
| ef:activity/change/20260821T1122181958110000/261848 | altLabel | ef:agent/consensus_match | ef:flow/750aa305-68cc-488e-9314-27ef5e820827/v10 | ef:flow/750aa305-68cc-488e-9314-27ef5e820827/v11 |
| ef:activity/change/20260821T1122181958110000/261849 | cas_match_labels | ef:agent/consensus_match | ef:flow/750aa305-68cc-488e-9314-27ef5e820827/v11 | ef:flow/750aa305-68cc-488e-9314-27ef5e820827/v12 |
| ef:activity/change/20260821T1122181958110000/276243 | properties | ef:agent/opsin_iupac | ef:flow/750aa305-68cc-488e-9314-27ef5e820827/v12 | ef:flow/750aa305-68cc-488e-9314-27ef5e820827/v13 |
| ef:activity/change/20260821T1122181958110000/282830 | properties | ef:agent/rdkit_post_consensus | ef:flow/750aa305-68cc-488e-9314-27ef5e820827/v13 | ef:flow/750aa305-68cc-488e-9314-27ef5e820827/v14 |
| ef:activity/change/20260821T1122181958110000/289343 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/750aa305-68cc-488e-9314-27ef5e820827/v14 | ef:flow/750aa305-68cc-488e-9314-27ef5e820827/v15 |
| ef:activity/change/20260821T1122181958110000/340730 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/750aa305-68cc-488e-9314-27ef5e820827/v15 | ef:flow/750aa305-68cc-488e-9314-27ef5e820827/v16 |
| ef:activity/change/20260821T1122181958110000/390587 | properties | ef:agent/normalise_property_values | ef:flow/750aa305-68cc-488e-9314-27ef5e820827/v16 | ef:flow/750aa305-68cc-488e-9314-27ef5e820827/v17 |
| ef:activity/change/20260821T1122181958110000/398259 | types | ef:agent/link_flows_to_their_substance | ef:flow/750aa305-68cc-488e-9314-27ef5e820827/v17 | ef:flow/750aa305-68cc-488e-9314-27ef5e820827/v18 |