Methyl 3-sulfanylpropanoate
Everything that changed this flow. Back to the flow
897e9a56-c3e5-4793-95af-f4e37061e1c6
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 1 catalogue altLabel value(s): 'NSC 137814' (registry code) |
| 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=methyl3-sulfanylpropanoate||dimension=Environmental > media=Water > water_body=Long-term; group_sources=['ec_inventory', 'pubchem']; cas_sources={'2935-90-2': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-ac41f0784ba91aa9: {'2935-90-2': '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 non-urban air or from high stacks |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to non-urban air or from high stacks |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['2935-90-2']; matched_chebi_ids=[]; candidate_pubchem_cids=[18050]; selected_pubchem_cids=[18050]; 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 |
|---|---|---|---|---|---|
| 12,211 | bootstrap_labels | prefLabel | — | [{"@value":"methyl 3-sulfanylpropanoate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasA… | Bootstrapped prefLabel from legacy name field |
| 12,212 | bootstrap_labels | name | methyl 3-sulfanylpropanoate | — | Purged legacy name field to enforce prefLabel usage |
| 12,213 | bootstrap_labels | synonyms | ["organic","methyl3-mercaptopropionate"] | [] | Removed legacy synonyms field in favor of structured labels |
| 131,468 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Medium stack, <150 meters","population_density":"Rural (<1000 peop… | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to non-urban air or from high stacks |
| 131,469 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-mest15me-ru10pesq | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to non-urban air or from high stacks |
| 217,382 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 223,921 | normalize_name_case | prefLabel | [{"@value":"methyl 3-sulfanylpropanoate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasA… | [{"@value":"Methyl 3-sulfanylpropanoate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasA… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 238,787 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H8O2S"],… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 238,788 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 238,789 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J34.910K","provenance":{"prov:wasGeneratedBy":"enrich_referenc… | Added references with provenance; cas_numbers=['2935-90-2']; matched_chebi_ids=[]; candidate_pubchem_cids=[18050]; selected_pubchem_cids=[18050]; 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 |
| 251,653 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H8O2S"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H8O2S"],… | rdkit_pre_consensus from 'COC(=O)CCS'; added: molecular_mass, monoisotopic_mass |
| 268,748 | consensus_match | altLabel | [] | [{"@value":"3-Mercaptopropanoic acid methyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","… | group_key=methyl3-sulfanylpropanoate||dimension=Environmental > media=Water > water_body=Long-term; cas=2935-90-2; added Common Chemistry CAS names as altLabel: 3-Mercaptopropanoic acid methyl ester, 3-Mercaptopropionic acid methyl ester, 3-Mercatopropropanoic acid methyl ester, 3-Sulfanylpropionic acid methyl ester, 3-Thiopropanoic acid methyl ester, MPM, MPM (thiol), Methyl 3-mercaptopropanoate, Methyl 3-mercaptopropionate, Methyl 3-mercaptopropionoate, Methyl β-mercaptopropionate, Methyl-3-mercaptopropionate, NSC 137814, Propanoic acid, 3-mercapto-, methyl ester, Propionic acid, 3-mercapto-, methyl ester, β-Mercaptopropionic acid methyl ester; object_uuid=fo-ac41f0784ba91aa9 |
| 268,749 | consensus_match | cas_match_labels | — | {"2935-90-2":"exactMatch"} | group_key=methyl3-sulfanylpropanoate||dimension=Environmental > media=Water > water_body=Long-term; group_sources=['ec_inventory', 'pubchem']; cas_sources={'2935-90-2': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-ac41f0784ba91aa9: {'2935-90-2': 'exactMatch'} |
| 276,833 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H8O2S"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H8O2S"],… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Methyl 3-sulfanylpropanoate' |
| 283,478 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H8O2S"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H8O2S"],… | rdkit_post_consensus from 'COC(=O)CCS'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 289,765 | strip_catalogue_altlabels | altLabel | [{"@value":"3-Mercaptopropanoic acid methyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","… | [{"@value":"3-Mercaptopropanoic acid methyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","… | Removed 1 catalogue altLabel value(s): 'NSC 137814' (registry code) |
| 346,734 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/897e9a56-c3e5-… | associations resolved on the elementary layer |
| 391,192 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H8O2S"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H8O2S"],… | typed the way the ontology types it |
| 399,119 | 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/20260822T0600486828500000/12211 | prefLabel | ef:agent/bootstrap_labels | ef:flow/897e9a56-c3e5-4793-95af-f4e37061e1c6/v0 | ef:flow/897e9a56-c3e5-4793-95af-f4e37061e1c6/v1 |
| ef:activity/change/20260822T0600486828500000/12212 | name | ef:agent/bootstrap_labels | ef:flow/897e9a56-c3e5-4793-95af-f4e37061e1c6/v1 | ef:flow/897e9a56-c3e5-4793-95af-f4e37061e1c6/v2 |
| ef:activity/change/20260822T0600486828500000/12213 | synonyms | ef:agent/bootstrap_labels | ef:flow/897e9a56-c3e5-4793-95af-f4e37061e1c6/v2 | ef:flow/897e9a56-c3e5-4793-95af-f4e37061e1c6/v3 |
| ef:activity/change/20260822T0600486828500000/131468 | context | ef:agent/default_context_mapping | ef:flow/897e9a56-c3e5-4793-95af-f4e37061e1c6/v3 | ef:flow/897e9a56-c3e5-4793-95af-f4e37061e1c6/v4 |
| ef:activity/change/20260822T0600486828500000/131469 | context_iri | ef:agent/default_context_mapping | ef:flow/897e9a56-c3e5-4793-95af-f4e37061e1c6/v4 | ef:flow/897e9a56-c3e5-4793-95af-f4e37061e1c6/v5 |
| ef:activity/change/20260822T0600486828500000/217382 | unit_iri | ef:agent/unit_normalization | ef:flow/897e9a56-c3e5-4793-95af-f4e37061e1c6/v5 | ef:flow/897e9a56-c3e5-4793-95af-f4e37061e1c6/v6 |
| ef:activity/change/20260822T0600486828500000/223921 | prefLabel | ef:agent/normalize_name_case | ef:flow/897e9a56-c3e5-4793-95af-f4e37061e1c6/v6 | ef:flow/897e9a56-c3e5-4793-95af-f4e37061e1c6/v7 |
| ef:activity/change/20260822T0600486828500000/238787 | properties | ef:agent/enrich_references | ef:flow/897e9a56-c3e5-4793-95af-f4e37061e1c6/v7 | ef:flow/897e9a56-c3e5-4793-95af-f4e37061e1c6/v8 |
| ef:activity/change/20260822T0600486828500000/238788 | skos_definition | ef:agent/enrich_references | ef:flow/897e9a56-c3e5-4793-95af-f4e37061e1c6/v8 | ef:flow/897e9a56-c3e5-4793-95af-f4e37061e1c6/v9 |
| ef:activity/change/20260822T0600486828500000/238789 | references | ef:agent/enrich_references | ef:flow/897e9a56-c3e5-4793-95af-f4e37061e1c6/v9 | ef:flow/897e9a56-c3e5-4793-95af-f4e37061e1c6/v10 |
| ef:activity/change/20260822T0600486828500000/251653 | properties | ef:agent/rdkit_pre_consensus | ef:flow/897e9a56-c3e5-4793-95af-f4e37061e1c6/v10 | ef:flow/897e9a56-c3e5-4793-95af-f4e37061e1c6/v11 |
| ef:activity/change/20260822T0600486828500000/268748 | altLabel | ef:agent/consensus_match | ef:flow/897e9a56-c3e5-4793-95af-f4e37061e1c6/v11 | ef:flow/897e9a56-c3e5-4793-95af-f4e37061e1c6/v12 |
| ef:activity/change/20260822T0600486828500000/268749 | cas_match_labels | ef:agent/consensus_match | ef:flow/897e9a56-c3e5-4793-95af-f4e37061e1c6/v12 | ef:flow/897e9a56-c3e5-4793-95af-f4e37061e1c6/v13 |
| ef:activity/change/20260822T0600486828500000/276833 | properties | ef:agent/opsin_iupac | ef:flow/897e9a56-c3e5-4793-95af-f4e37061e1c6/v13 | ef:flow/897e9a56-c3e5-4793-95af-f4e37061e1c6/v14 |
| ef:activity/change/20260822T0600486828500000/283478 | properties | ef:agent/rdkit_post_consensus | ef:flow/897e9a56-c3e5-4793-95af-f4e37061e1c6/v14 | ef:flow/897e9a56-c3e5-4793-95af-f4e37061e1c6/v15 |
| ef:activity/change/20260822T0600486828500000/289765 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/897e9a56-c3e5-4793-95af-f4e37061e1c6/v15 | ef:flow/897e9a56-c3e5-4793-95af-f4e37061e1c6/v16 |
| ef:activity/change/20260822T0600486828500000/346734 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/897e9a56-c3e5-4793-95af-f4e37061e1c6/v16 | ef:flow/897e9a56-c3e5-4793-95af-f4e37061e1c6/v17 |
| ef:activity/change/20260822T0600486828500000/391192 | properties | ef:agent/normalise_property_values | ef:flow/897e9a56-c3e5-4793-95af-f4e37061e1c6/v17 | ef:flow/897e9a56-c3e5-4793-95af-f4e37061e1c6/v18 |
| ef:activity/change/20260822T0600486828500000/399119 | types | ef:agent/link_flows_to_their_substance | ef:flow/897e9a56-c3e5-4793-95af-f4e37061e1c6/v18 | ef:flow/897e9a56-c3e5-4793-95af-f4e37061e1c6/v19 |