Sodium 3-sulfanylpropane-1-sulfonate
Everything that changed this substance, across every flow that resolves to it. Back to the substance
fo-1f96e593b3f85e57
Changes
55| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 9,964 | bootstrap_labels | prefLabel | — | [{"@value":"sodium 3-sulfanylpropane-1-sulfonate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","… | Bootstrapped prefLabel from legacy name field |
| 9,965 | bootstrap_labels | name | sodium 3-sulfanylpropane-1-sulfonate | — | Purged legacy name field to enforce prefLabel usage |
| 9,966 | bootstrap_labels | synonyms | ["organic","sodium3-mercaptopropanesulphonate"] | [] | Removed legacy synonyms field in favor of structured labels |
| 42,590 | 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 |
| 42,591 | 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 |
| 46,332 | 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 |
| 46,333 | 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 |
| 58,162 | 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 |
| 58,163 | 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 |
| 59,618 | 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) |
| 59,619 | 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) |
| 76,106 | 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 |
| 76,107 | 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 |
| 76,234 | 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) |
| 76,235 | 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) |
| 86,282 | 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 |
| 86,283 | 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 |
| 130,366 | 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 |
| 130,367 | 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 |
| 135,558 | 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 |
| 135,559 | 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 |
| 164,092 | 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 |
| 164,093 | 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 |
| 167,890 | 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 |
| 167,891 | 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 |
| 176,084 | 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 |
| 176,085 | 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 |
| 195,426 | 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 |
| 195,427 | 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 |
| 216,649 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 223,426 | normalize_name_case | prefLabel | [{"@value":"sodium 3-sulfanylpropane-1-sulfonate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","… | [{"@value":"Sodium 3-sulfanylpropane-1-sulfonate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 236,695 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H8NaO3S2… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 236,696 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 236,697 | enrich_references | references | [] | [{"@id":"https://commonchemistry.cas.org/detail?cas_rn=17636-10-1","provenance":{"prov:wasGeneratedBy":"enrich_referenc… | Added references with provenance; cas_numbers=['17636-10-1']; matched_chebi_ids=[]; candidate_pubchem_cids=[67880, 264384, 23672317, 45051753]; selected_pubchem_cids=[45051753]; 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 |
| 251,053 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H8NaO3S2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H8NaO3S2… | rdkit_pre_consensus from 'C(CS)CS(=O)(=O)O.[Na]'; added: molecular_mass, monoisotopic_mass |
| 271,773 | consensus_match | altLabel | [] | [{"@value":"1-Propanesulfonic acid, 3-mercapto-, monosodium salt","@language":"en","source":{"prov:wasGeneratedBy":"con… | group_key=sodium3-sulfanylpropane-1-sulfonate||dimension=Environmental > media=Water > water_body=Surface water; cas=17636-10-1; added Common Chemistry CAS names as altLabel: 1-Propanesulfonic acid, 3-mercapto-, monosodium salt, 1-Propanesulfonic acid, 3-mercapto-, sodium salt, 1-Propanesulfonic acid, 3-mercapto-, sodium salt (1:1), 3-Mercapto-1-propanesulfonic acid monosodium salt, 3-Mercapto-propylsulfonate sodium salt, 3-Mercaptopropanesulfonic acid, sodium salt, Asta 7100, MPS, Sodium 3-mercapto-1-propanesulfonate, Sodium 3-mercaptopropanesulfonate, Sodium 3-mercaptopropylsulfonate, Sodium γ-mercaptopropanesulfonate; object_uuid=fo-1f96e593b3f85e57 |
| 271,774 | consensus_match | cas_match_labels | — | {"17636-10-1":"exactMatch"} | group_key=sodium3-sulfanylpropane-1-sulfonate||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['ec_inventory', 'pubchem']; cas_sources={'17636-10-1': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-1f96e593b3f85e57: {'17636-10-1': 'exactMatch'} |
| 276,239 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H8NaO3S2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H8NaO3S2… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Sodium 3-sulfanylpropane-1-sulfonate' |
| 282,825 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H8NaO3S2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H7NaO3S2… | rdkit_post_consensus from 'O=S(=O)([O-])CCCS.[Na+]'; added: inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass; confirmed: smiles_string, inchi2d_string |
| 286,927 | withhold_ambiguous_mass | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H7NaO3S2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H7NaO3S2… | withhold_ambiguous_mass: removed molecular_mass, monoisotopic_mass; the flow carries 2 candidate structures, so no one mass describes it |
| 289,340 | strip_catalogue_altlabels | altLabel | [{"@value":"1-Propanesulfonic acid, 3-mercapto-, monosodium salt","@language":"en","source":{"prov:wasGeneratedBy":"con… | [{"@value":"1-Propanesulfonic acid, 3-mercapto-, monosodium salt","@language":"en","source":{"prov:wasGeneratedBy":"con… | Removed 1 catalogue altLabel value(s): 'Asta 7100' (grade code) |
| 302,320 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/0a38d824-f054-… | associations resolved on the elementary layer |
| 304,193 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/0f36f3b7-d6de-… | associations resolved on the elementary layer |
| 310,103 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/1ffc4d72-4546-… | associations resolved on the elementary layer |
| 310,828 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/2287107f-0d95-… | associations resolved on the elementary layer |
| 319,068 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/3bbb181c-2d8e-… | associations resolved on the elementary layer |
| 319,132 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/3bfb73e4-c36f-… | associations resolved on the elementary layer |
| 324,157 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/4bf90dd9-2d4e-… | associations resolved on the elementary layer |
| 346,183 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/878e42c4-fa74-… | associations resolved on the elementary layer |
| 348,775 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/905e4329-ca69-… | associations resolved on the elementary layer |