(R*,R*)-1,4-dimercaptobutane-2,3-diol
Everything that changed this substance, across every flow that resolves to it. Back to the substance
fo-84dc2870d5467778
Changes
64| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 9,357 | bootstrap_labels | prefLabel | — | [{"@value":"(R*,R*)-1,4-dimercaptobutane-2,3-diol","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels",… | Bootstrapped prefLabel from legacy name field |
| 9,358 | bootstrap_labels | name | (R*,R*)-1,4-dimercaptobutane-2,3-diol | — | Purged legacy name field to enforce prefLabel usage |
| 9,359 | bootstrap_labels | synonyms | ["(R*,R*)-(+-)-1,4-Dimercapto-2,3-butanediol","(R*,R*)-(1)-1,4-Dimercaptobutane-2,3-diol","(R*,R*)-1,4-Dimercapto-2,3-b… | [] | Removed legacy synonyms field in favor of structured labels |
| 23,950 | bootstrap_labels | prefLabel | — | [{"@value":"(r*,r*)-1,4-dimercaptobutane-2,3-diol","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels",… | Bootstrapped prefLabel from legacy name field |
| 23,951 | bootstrap_labels | name | (r*,r*)-1,4-dimercaptobutane-2,3-diol | — | Purged legacy name field to enforce prefLabel usage |
| 41,919 | 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 |
| 41,920 | 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 |
| 77,369 | 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) |
| 77,370 | 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) |
| 79,675 | 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 |
| 79,676 | 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 |
| 83,909 | 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 |
| 83,910 | 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 |
| 115,125 | 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 |
| 115,126 | 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 |
| 119,605 | 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 |
| 119,606 | 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 |
| 119,995 | 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 |
| 119,996 | 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 |
| 126,295 | 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 |
| 126,296 | 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 |
| 151,875 | 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) |
| 151,876 | 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) |
| 152,579 | 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 |
| 152,580 | 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 |
| 174,895 | 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 |
| 174,896 | 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 |
| 175,367 | 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 |
| 175,368 | 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 |
| 213,025 | 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 |
| 213,026 | 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 |
| 216,454 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 226,918 | ec_cross_check | ec_numbers | [] | ["222-468-7"] | Resolved from EC-inventory: 222-468-7 from CAS 3483-12-3 |
| 236,134 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H10O2S2"… | Added ChEBI/PubChem properties (chebi_ids=2, pubchem_cids=2) |
| 236,135 | enrich_references | skos_definition | — | [{"@value":"The threo-diastereomer of 1,4-dimercaptobutane-2,3-diol.","@language":"en","provenance":{"prov:wasGenerated… | Merged ChEBI/PubChem definitions into skos:definition |
| 236,136 | enrich_references | references | [] | [{"@id":"beilstein:2036371","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedTo":… | Added references with provenance; cas_numbers=['3483-12-3']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_18320', 'http://purl.obolibrary.org/obo/CHEBI_42106']; candidate_pubchem_cids=[3114, 19001, 439196, 446094, 51341375]; selected_pubchem_cids=[19001, 439196]; 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 |
| 250,896 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H10O2S2"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H10O2S2"… | rdkit_pre_consensus from 'C(C(C(CS)O)O)S'; added: monoisotopic_mass |
| 255,735 | chebi_altlabels | altLabel | [] | [{"@value":"(2R,3R)-1,4-dimercaptobutane-2,3-diol","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","… | Added 19 ChEBI synonym(s) as altLabel from 2 linked ChEBI record(s) |
| 257,887 | consensus_match | altLabel | [{"@value":"(2R,3R)-1,4-dimercaptobutane-2,3-diol","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","… | [{"@value":"(2R,3R)-1,4-dimercaptobutane-2,3-diol","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","… | group_key=(r*,r*)-1,4-dimercaptobutane-2,3-diol||dimension=Environmental > media=Water > water_body=Surface water; cas=3483-12-3; added Common Chemistry CAS names as altLabel: (±)-1,4-Dimercapto-2,3-butanediol, (±)-Dithiothreitol, 1,4-Dithio-<span class="text-smallcaps">DL</span>-threitol, 2,3-Butanediol, 1,4-dimercapto-, (2<em>R</em>,3<em>R</em>)-<em>rel</em>-, 2,3-Butanediol, 1,4-dimercapto-, (<em>R</em>*,<em>R</em>*)-, <em>rel</em>-(2<em>R</em>,3<em>R</em>)-1,4-Dimercapto-2,3-butanediol, <em>threo</em>-2,3-Dihydroxy-1,4-butanedithiol, <em>threo</em>-2,3-Dihydroxy-1,4-dithiolbutane, <span class="text-smallcaps">DL</span>-1,4-Dimercapto-2,3-dihydroxybutane, <span class="text-smallcaps">DL</span>-1,4-Dithiothreitol, <span class="text-smallcaps">DL</span>-Dithiothreitol, DTT (threitol derivative), MeSH ID: D004229, Mucolyse, Reagents, Cleland's, Sputolysin, Threitol, 1,4-dithio-, WR 34678; object_uuid=fo-84dc2870d5467778 |
| 257,888 | consensus_match | cas_match_labels | — | {"3483-12-3":"exactMatch"} | group_key=(r*,r*)-1,4-dimercaptobutane-2,3-diol||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'3483-12-3': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-84dc2870d5467778: {'3483-12-3': 'exactMatch'} |
| 276,083 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H10O2S2"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H10O2S2"… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '(R*,R*)-1,4-dimercaptobutane-2,3-diol' |
| 279,591 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H10O2S2"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H10O2S2"… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '(r*,r*)-1,4-dimercaptobutane-2,3-diol' |
| 282,655 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H10O2S2"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H10O2S2"… | rdkit_post_consensus from 'O[C@@H](CS)[C@@H](O)CS'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 286,473 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H10O2S2"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H10O2S2"… | rdkit_post_consensus from 'O[C@@H](CS)[C@@H](O)CS'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 289,231 | strip_catalogue_altlabels | altLabel | [{"@value":"(2R,3R)-1,4-dimercaptobutane-2,3-diol","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","… | [{"@value":"(2R,3R)-1,4-dimercaptobutane-2,3-diol","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","… | Removed 1 catalogue altLabel value(s): 'WR 34678' (grade code) |
| 302,023 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/0912fe01-4649-… | associations resolved on the elementary layer |
| 319,736 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/3de8ecfe-dcca-… | associations resolved on the elementary layer |
| 320,888 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/402fc9a8-b528-… | associations resolved on the elementary layer |
| 323,006 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/47a4d1ec-b345-… | associations resolved on the elementary layer |
| 338,596 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/6db52c61-e7ff-… | associations resolved on the elementary layer |