3,3'-sulfanediyldipropanoic Acid
Everything that changed this flow. Back to the flow
21c83345-accc-408f-a95d-5b1b6657858d
By field
13 fields| Field | Changes | Written by | Latest note |
|---|---|---|---|
| properties | 4 | enrich_references, normalise_property_values, opsin_iupac, rdkit_post_consensus | typed the way the ontology types it |
| altLabel | 3 | chebi_altlabels, consensus_match, strip_catalogue_altlabels | Removed 3 catalogue altLabel value(s): 'Antioxidant 39620' (trade name), 'NSC 65523' (registry code), 'NSC 8166' (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=3,3'-sulfanediyldipropanoicacid||dimension=Environmental > media=Air > strata=Long-term; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'111-17-1': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-80d5425e188f82ee: {'111-17-1': '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 |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['111-17-1']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_165380']; candidate_pubchem_cids=[8096, 1549624]; selected_pubchem_cids=[8096]; 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 |
|---|---|---|---|---|---|
| 2,100 | bootstrap_labels | prefLabel | — | [{"@value":"3,3'-sulfanediyldipropanoic acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov… | Bootstrapped prefLabel from legacy name field |
| 2,101 | bootstrap_labels | name | 3,3'-sulfanediyldipropanoic acid | — | Purged legacy name field to enforce prefLabel usage |
| 2,102 | bootstrap_labels | synonyms | ["organic","3,3'","-thiodi(propionicacid)","tdpa"] | [] | Removed legacy synonyms field in favor of structured labels |
| 59,190 | 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 |
| 59,191 | 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 |
| 214,039 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 221,577 | normalize_name_case | prefLabel | [{"@value":"3,3'-sulfanediyldipropanoic acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov… | [{"@value":"3,3'-sulfanediyldipropanoic Acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 229,198 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H10O4S"]… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 229,199 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 229,200 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J38.156J","provenance":{"prov:wasGeneratedBy":"enrich_referenc… | Added references with provenance; cas_numbers=['111-17-1']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_165380']; candidate_pubchem_cids=[8096, 1549624]; selected_pubchem_cids=[8096]; 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 |
| 254,617 | chebi_altlabels | altLabel | [] | [{"@value":"3-(2-carboxyethylsulanyl)propanoic acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels"… | Added 2 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 261,445 | consensus_match | altLabel | [{"@value":"3-(2-carboxyethylsulanyl)propanoic acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels"… | [{"@value":"3-(2-carboxyethylsulanyl)propanoic acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels"… | group_key=3,3'-sulfanediyldipropanoicacid||dimension=Environmental > media=Air > strata=Long-term; cas=111-17-1; added Common Chemistry CAS names as altLabel: 3,3′-Thiobis[propanoic acid\], 3,3′-Thiodipropanoic acid, 3,3′-Thiodipropionic acid, 3-[(2-Carboxyethyl)sulfanyl]propanoic acid, 4-Thiaheptanedioic acid, Antioxidant 39620, Bis(2-carboxyethyl) sulfide, Diethyl sulfide 2,2′-dicarboxylic acid, NSC 65523, NSC 8166, Propanoic acid, 3,3′-thiobis-, Propionic acid, 3,3′-thiodi-, TDPA, Thiodihydracrylic acid, Thiodipropionic acid, Tyox A, β,β′-Thiodipropionic acid; object_uuid=fo-80d5425e188f82ee |
| 261,446 | consensus_match | cas_match_labels | — | {"111-17-1":"exactMatch"} | group_key=3,3'-sulfanediyldipropanoicacid||dimension=Environmental > media=Air > strata=Long-term; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'111-17-1': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-80d5425e188f82ee: {'111-17-1': 'exactMatch'} |
| 274,018 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H10O4S"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H10O4S"]… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '3,3'-sulfanediyldipropanoic Acid' |
| 280,423 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H10O4S"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H10O4S"]… | rdkit_post_consensus from 'O=C(O)CCSCCC(=O)O'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 287,673 | strip_catalogue_altlabels | altLabel | [{"@value":"3-(2-carboxyethylsulanyl)propanoic acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels"… | [{"@value":"3-(2-carboxyethylsulanyl)propanoic acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels"… | Removed 3 catalogue altLabel value(s): 'Antioxidant 39620' (trade name), 'NSC 65523' (registry code), 'NSC 8166' (registry code) |
| 310,617 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/21c83345-accc-… | associations resolved on the elementary layer |
| 388,308 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H10O4S"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H10O4S"]… | typed the way the ontology types it |
| 394,985 | 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/20260821T1302361922970000/2100 | prefLabel | ef:agent/bootstrap_labels | ef:flow/21c83345-accc-408f-a95d-5b1b6657858d/v0 | ef:flow/21c83345-accc-408f-a95d-5b1b6657858d/v1 |
| ef:activity/change/20260821T1302361922970000/2101 | name | ef:agent/bootstrap_labels | ef:flow/21c83345-accc-408f-a95d-5b1b6657858d/v1 | ef:flow/21c83345-accc-408f-a95d-5b1b6657858d/v2 |
| ef:activity/change/20260821T1302361922970000/2102 | synonyms | ef:agent/bootstrap_labels | ef:flow/21c83345-accc-408f-a95d-5b1b6657858d/v2 | ef:flow/21c83345-accc-408f-a95d-5b1b6657858d/v3 |
| ef:activity/change/20260821T1302361922970000/59190 | context | ef:agent/default_context_mapping | ef:flow/21c83345-accc-408f-a95d-5b1b6657858d/v3 | ef:flow/21c83345-accc-408f-a95d-5b1b6657858d/v4 |
| ef:activity/change/20260821T1302361922970000/59191 | context_iri | ef:agent/default_context_mapping | ef:flow/21c83345-accc-408f-a95d-5b1b6657858d/v4 | ef:flow/21c83345-accc-408f-a95d-5b1b6657858d/v5 |
| ef:activity/change/20260821T1302361922970000/214039 | unit_iri | ef:agent/unit_normalization | ef:flow/21c83345-accc-408f-a95d-5b1b6657858d/v5 | ef:flow/21c83345-accc-408f-a95d-5b1b6657858d/v6 |
| ef:activity/change/20260821T1302361922970000/221577 | prefLabel | ef:agent/normalize_name_case | ef:flow/21c83345-accc-408f-a95d-5b1b6657858d/v6 | ef:flow/21c83345-accc-408f-a95d-5b1b6657858d/v7 |
| ef:activity/change/20260821T1302361922970000/229198 | properties | ef:agent/enrich_references | ef:flow/21c83345-accc-408f-a95d-5b1b6657858d/v7 | ef:flow/21c83345-accc-408f-a95d-5b1b6657858d/v8 |
| ef:activity/change/20260821T1302361922970000/229199 | skos_definition | ef:agent/enrich_references | ef:flow/21c83345-accc-408f-a95d-5b1b6657858d/v8 | ef:flow/21c83345-accc-408f-a95d-5b1b6657858d/v9 |
| ef:activity/change/20260821T1302361922970000/229200 | references | ef:agent/enrich_references | ef:flow/21c83345-accc-408f-a95d-5b1b6657858d/v9 | ef:flow/21c83345-accc-408f-a95d-5b1b6657858d/v10 |
| ef:activity/change/20260821T1302361922970000/254617 | altLabel | ef:agent/chebi_altlabels | ef:flow/21c83345-accc-408f-a95d-5b1b6657858d/v10 | ef:flow/21c83345-accc-408f-a95d-5b1b6657858d/v11 |
| ef:activity/change/20260821T1302361922970000/261445 | altLabel | ef:agent/consensus_match | ef:flow/21c83345-accc-408f-a95d-5b1b6657858d/v11 | ef:flow/21c83345-accc-408f-a95d-5b1b6657858d/v12 |
| ef:activity/change/20260821T1302361922970000/261446 | cas_match_labels | ef:agent/consensus_match | ef:flow/21c83345-accc-408f-a95d-5b1b6657858d/v12 | ef:flow/21c83345-accc-408f-a95d-5b1b6657858d/v13 |
| ef:activity/change/20260821T1302361922970000/274018 | properties | ef:agent/opsin_iupac | ef:flow/21c83345-accc-408f-a95d-5b1b6657858d/v13 | ef:flow/21c83345-accc-408f-a95d-5b1b6657858d/v14 |
| ef:activity/change/20260821T1302361922970000/280423 | properties | ef:agent/rdkit_post_consensus | ef:flow/21c83345-accc-408f-a95d-5b1b6657858d/v14 | ef:flow/21c83345-accc-408f-a95d-5b1b6657858d/v15 |
| ef:activity/change/20260821T1302361922970000/287673 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/21c83345-accc-408f-a95d-5b1b6657858d/v15 | ef:flow/21c83345-accc-408f-a95d-5b1b6657858d/v16 |
| ef:activity/change/20260821T1302361922970000/310617 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/21c83345-accc-408f-a95d-5b1b6657858d/v16 | ef:flow/21c83345-accc-408f-a95d-5b1b6657858d/v17 |
| ef:activity/change/20260821T1302361922970000/388308 | properties | ef:agent/normalise_property_values | ef:flow/21c83345-accc-408f-a95d-5b1b6657858d/v17 | ef:flow/21c83345-accc-408f-a95d-5b1b6657858d/v18 |
| ef:activity/change/20260821T1302361922970000/394985 | types | ef:agent/link_flows_to_their_substance | ef:flow/21c83345-accc-408f-a95d-5b1b6657858d/v18 | ef:flow/21c83345-accc-408f-a95d-5b1b6657858d/v19 |