3-sulfanylpropanoic Acid
Everything that changed this flow. Back to the flow
cd56e81b-068d-4280-b7c4-8b44f49e8612
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 2 catalogue altLabel value(s): 'NSC 437' (registry code), 'NSC 45157' (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-sulfanylpropanoicacid||dimension=Environmental > media=Ground > geography=Non-agricultural; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'107-96-0': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-37aca97ab8ce3a41: {'107-96-0': '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 air > Emissions to lower stratosphere and upper troposphere |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to lower stratosphere and upper troposphere |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['107-96-0']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_44111']; candidate_pubchem_cids=[6514]; selected_pubchem_cids=[6514]; 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 |
|---|---|---|---|---|---|
| 9,884 | bootstrap_labels | prefLabel | — | [{"@value":"3-sulfanylpropanoic acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttr… | Bootstrapped prefLabel from legacy name field |
| 9,885 | bootstrap_labels | name | 3-sulfanylpropanoic acid | — | Purged legacy name field to enforce prefLabel usage |
| 9,886 | bootstrap_labels | synonyms | ["organic","3-mercaptopropionicacid","3-mercaptopropionicacid80%","3-mercaptopropionicacid80%ec","3-mercaptopropionicac… | [] | Removed legacy synonyms field in favor of structured labels |
| 171,404 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Aircraft cruise height"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to lower stratosphere and upper troposphere |
| 171,405 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-aicrhe | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to lower stratosphere and upper troposphere |
| 216,623 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 223,405 | normalize_name_case | prefLabel | [{"@value":"3-sulfanylpropanoic acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttr… | [{"@value":"3-sulfanylpropanoic Acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttr… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 236,620 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H6O2S"],… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 236,621 | enrich_references | skos_definition | — | [{"@value":"A mercaptopropanoic acid that is propanoic acid carrying a sulfanyl group at position 3.","@language":"en",… | Merged ChEBI/PubChem definitions into skos:definition |
| 236,622 | enrich_references | references | [] | [{"@id":"gmelin:101294","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedTo":"con… | Added references with provenance; cas_numbers=['107-96-0']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_44111']; candidate_pubchem_cids=[6514]; selected_pubchem_cids=[6514]; 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 |
| 255,792 | chebi_altlabels | altLabel | [] | [{"@value":"2-mercaptoethanecarboxylic acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:w… | Added 11 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 262,215 | consensus_match | altLabel | [{"@value":"2-mercaptoethanecarboxylic acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:w… | [{"@value":"2-mercaptoethanecarboxylic acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:w… | group_key=3-sulfanylpropanoicacid||dimension=Environmental > media=Ground > geography=Non-agricultural; cas=107-96-0; added Common Chemistry CAS names as altLabel: BMPA, BMPA (thiol), MPA, MeSH ID: D015097, Mercaptopropionic acid, NSC 437, NSC 45157, Propanoic acid, 3-mercapto-, Propionic acid, 3-mercapto-, Propionic acid, β-mercapto-, R 013140, Thiohydracrylic acid, β-Mercaptopropanoic acid, β-Mercaptopropionic acid, β-Thiopropionic acid; object_uuid=fo-37aca97ab8ce3a41 |
| 262,216 | consensus_match | cas_match_labels | — | {"107-96-0":"exactMatch"} | group_key=3-sulfanylpropanoicacid||dimension=Environmental > media=Ground > geography=Non-agricultural; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'107-96-0': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-37aca97ab8ce3a41: {'107-96-0': 'exactMatch'} |
| 276,216 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H6O2S"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H6O2S"],… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '3-sulfanylpropanoic Acid' |
| 282,800 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H6O2S"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H6O2S"],… | rdkit_post_consensus from 'O=C(O)CCS'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 289,323 | strip_catalogue_altlabels | altLabel | [{"@value":"2-mercaptoethanecarboxylic acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:w… | [{"@value":"2-mercaptoethanecarboxylic acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:w… | Removed 2 catalogue altLabel value(s): 'NSC 437' (registry code), 'NSC 45157' (registry code) |
| 366,726 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/cd56e81b-068d-… | associations resolved on the elementary layer |
| 390,562 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H6O2S"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H6O2S"],… | typed the way the ontology types it |
| 398,221 | 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/20260821T1122181958110000/9884 | prefLabel | ef:agent/bootstrap_labels | ef:flow/cd56e81b-068d-4280-b7c4-8b44f49e8612/v0 | ef:flow/cd56e81b-068d-4280-b7c4-8b44f49e8612/v1 |
| ef:activity/change/20260821T1122181958110000/9885 | name | ef:agent/bootstrap_labels | ef:flow/cd56e81b-068d-4280-b7c4-8b44f49e8612/v1 | ef:flow/cd56e81b-068d-4280-b7c4-8b44f49e8612/v2 |
| ef:activity/change/20260821T1122181958110000/9886 | synonyms | ef:agent/bootstrap_labels | ef:flow/cd56e81b-068d-4280-b7c4-8b44f49e8612/v2 | ef:flow/cd56e81b-068d-4280-b7c4-8b44f49e8612/v3 |
| ef:activity/change/20260821T1122181958110000/171404 | context | ef:agent/default_context_mapping | ef:flow/cd56e81b-068d-4280-b7c4-8b44f49e8612/v3 | ef:flow/cd56e81b-068d-4280-b7c4-8b44f49e8612/v4 |
| ef:activity/change/20260821T1122181958110000/171405 | context_iri | ef:agent/default_context_mapping | ef:flow/cd56e81b-068d-4280-b7c4-8b44f49e8612/v4 | ef:flow/cd56e81b-068d-4280-b7c4-8b44f49e8612/v5 |
| ef:activity/change/20260821T1122181958110000/216623 | unit_iri | ef:agent/unit_normalization | ef:flow/cd56e81b-068d-4280-b7c4-8b44f49e8612/v5 | ef:flow/cd56e81b-068d-4280-b7c4-8b44f49e8612/v6 |
| ef:activity/change/20260821T1122181958110000/223405 | prefLabel | ef:agent/normalize_name_case | ef:flow/cd56e81b-068d-4280-b7c4-8b44f49e8612/v6 | ef:flow/cd56e81b-068d-4280-b7c4-8b44f49e8612/v7 |
| ef:activity/change/20260821T1122181958110000/236620 | properties | ef:agent/enrich_references | ef:flow/cd56e81b-068d-4280-b7c4-8b44f49e8612/v7 | ef:flow/cd56e81b-068d-4280-b7c4-8b44f49e8612/v8 |
| ef:activity/change/20260821T1122181958110000/236621 | skos_definition | ef:agent/enrich_references | ef:flow/cd56e81b-068d-4280-b7c4-8b44f49e8612/v8 | ef:flow/cd56e81b-068d-4280-b7c4-8b44f49e8612/v9 |
| ef:activity/change/20260821T1122181958110000/236622 | references | ef:agent/enrich_references | ef:flow/cd56e81b-068d-4280-b7c4-8b44f49e8612/v9 | ef:flow/cd56e81b-068d-4280-b7c4-8b44f49e8612/v10 |
| ef:activity/change/20260821T1122181958110000/255792 | altLabel | ef:agent/chebi_altlabels | ef:flow/cd56e81b-068d-4280-b7c4-8b44f49e8612/v10 | ef:flow/cd56e81b-068d-4280-b7c4-8b44f49e8612/v11 |
| ef:activity/change/20260821T1122181958110000/262215 | altLabel | ef:agent/consensus_match | ef:flow/cd56e81b-068d-4280-b7c4-8b44f49e8612/v11 | ef:flow/cd56e81b-068d-4280-b7c4-8b44f49e8612/v12 |
| ef:activity/change/20260821T1122181958110000/262216 | cas_match_labels | ef:agent/consensus_match | ef:flow/cd56e81b-068d-4280-b7c4-8b44f49e8612/v12 | ef:flow/cd56e81b-068d-4280-b7c4-8b44f49e8612/v13 |
| ef:activity/change/20260821T1122181958110000/276216 | properties | ef:agent/opsin_iupac | ef:flow/cd56e81b-068d-4280-b7c4-8b44f49e8612/v13 | ef:flow/cd56e81b-068d-4280-b7c4-8b44f49e8612/v14 |
| ef:activity/change/20260821T1122181958110000/282800 | properties | ef:agent/rdkit_post_consensus | ef:flow/cd56e81b-068d-4280-b7c4-8b44f49e8612/v14 | ef:flow/cd56e81b-068d-4280-b7c4-8b44f49e8612/v15 |
| ef:activity/change/20260821T1122181958110000/289323 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/cd56e81b-068d-4280-b7c4-8b44f49e8612/v15 | ef:flow/cd56e81b-068d-4280-b7c4-8b44f49e8612/v16 |
| ef:activity/change/20260821T1122181958110000/366726 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/cd56e81b-068d-4280-b7c4-8b44f49e8612/v16 | ef:flow/cd56e81b-068d-4280-b7c4-8b44f49e8612/v17 |
| ef:activity/change/20260821T1122181958110000/390562 | properties | ef:agent/normalise_property_values | ef:flow/cd56e81b-068d-4280-b7c4-8b44f49e8612/v17 | ef:flow/cd56e81b-068d-4280-b7c4-8b44f49e8612/v18 |
| ef:activity/change/20260821T1122181958110000/398221 | types | ef:agent/link_flows_to_their_substance | ef:flow/cd56e81b-068d-4280-b7c4-8b44f49e8612/v18 | ef:flow/cd56e81b-068d-4280-b7c4-8b44f49e8612/v19 |