3-sulfanylpropanoic Acid
Everything that changed this substance, across every flow that resolves to it. Back to the substance
fo-37aca97ab8ce3a41
Changes
55| # | 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 |
| 42,508 | 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 |
| 42,509 | 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 |
| 65,438 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Ground level","population_density":"Urban (>1000 people/square mil… | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to urban air close to ground |
| 65,439 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-grle-ur10pesq | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to urban air close to ground |
| 96,814 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Surface water"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to fresh water |
| 96,815 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-suwa | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to fresh water |
| 121,086 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified |
| 121,087 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified |
| 133,350 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Ground","geography":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to soil, unspecified |
| 133,351 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-grou-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to soil, unspecified |
| 134,488 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Long-term"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified (long-term) |
| 134,489 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-lote | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified (long-term) |
| 162,968 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Ocean"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to sea water |
| 162,969 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-ocea | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to sea water |
| 169,774 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Long-term"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified (long-term) |
| 169,775 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-lote | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified (long-term) |
| 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 |
| 171,552 | 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 |
| 171,553 | 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 |
| 180,152 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Ground","geography":"Agricultural"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to agricultural soil |
| 180,153 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-grou-agri | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to agricultural soil |
| 189,180 | 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 |
| 189,181 | 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 |
| 197,812 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified |
| 197,813 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified |
| 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) |
| 302,277 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/0a11e8b2-2025-… | associations resolved on the elementary layer |
| 313,735 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/2ac9f9e3-cbc2-… | associations resolved on the elementary layer |
| 329,403 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/4edb35dd-6061-… | associations resolved on the elementary layer |
| 341,539 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/77d00e75-45b7-… | associations resolved on the elementary layer |
| 347,668 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/8c61bf50-1d87-… | associations resolved on the elementary layer |
| 348,238 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/8e5d485d-3a42-… | associations resolved on the elementary layer |
| 362,506 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/bef4b614-5e58-… | associations resolved on the elementary layer |
| 365,911 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/ca8f1472-3eaf-… | associations resolved on the elementary layer |
| 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 |
| 366,798 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/cd9b28d4-b840-… | associations resolved on the elementary layer |