Mercaptopurine
Everything that changed this substance, across every flow that resolves to it. Back to the substance
fo-80fed56ffb74b766
Changes
58| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 11,520 | bootstrap_labels | prefLabel | — | [{"@value":"mercaptopurine","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":… | Bootstrapped prefLabel from legacy name field |
| 11,521 | bootstrap_labels | name | mercaptopurine | — | Purged legacy name field to enforce prefLabel usage |
| 11,522 | bootstrap_labels | synonyms | ["1,7-Dihydro-6H-purine-6-thione","1,9-dihydro-6H-purine-6-thione","1H-Purine, 6-mercapto-","3,7-dihydropurine-6-thione… | [] | Removed legacy synonyms field in favor of structured labels |
| 17,024 | bootstrap_labels | synonyms | ["1,7-Dihydro-6H-purine-6-thione","1,9-dihydro-6H-purine-6-thione","1H-Purine, 6-mercapto-","3,7-dihydropurine-6-thione… | [] | Removed legacy synonyms field in favor of structured labels |
| 44,366 | 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) |
| 44,367 | 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) |
| 52,430 | 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) |
| 52,431 | 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) |
| 55,108 | 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 |
| 55,109 | 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 |
| 62,710 | 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 |
| 62,711 | 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 |
| 68,272 | 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 |
| 68,273 | 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 |
| 76,994 | 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 |
| 76,995 | 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 |
| 84,286 | 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 |
| 84,287 | 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 |
| 99,954 | 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 |
| 99,955 | 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 |
| 143,646 | 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 |
| 143,647 | 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 |
| 169,640 | 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 |
| 169,641 | 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 |
| 184,066 | 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 |
| 184,067 | 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 |
| 193,726 | 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 |
| 193,727 | 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 |
| 199,220 | 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 |
| 199,221 | 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 |
| 217,159 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 223,780 | normalize_name_case | prefLabel | [{"@value":"mercaptopurine","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":… | [{"@value":"Mercaptopurine","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 226,931 | ec_cross_check | ec_numbers | [] | ["200-037-4"] | Resolved from EC-inventory: 200-037-4 from CAS 50-44-2 |
| 238,140 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H4N4S"],… | Added ChEBI/PubChem properties (chebi_ids=3, pubchem_cids=1) |
| 238,141 | enrich_references | skos_definition | — | [{"@value":"A member of the class of purines that is 6,7-dihydro-1H-purine carrying a thione group at position 6. An ad… | Merged ChEBI/PubChem definitions into skos:definition |
| 238,142 | enrich_references | references | [] | [{"@id":"drugcentral:1708","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedTo":"… | Added references with provenance; cas_numbers=['50-44-2']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_2208', 'http://purl.obolibrary.org/obo/CHEBI_50667', 'http://purl.obolibrary.org/obo/CHEBI_94796']; candidate_pubchem_cids=[667490, 3000241, 5473386, 45039697, 86769171]; selected_pubchem_cids=[667490]; 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 |
| 251,465 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H4N4S"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H4N4S"],… | rdkit_pre_consensus from 'C1=NC2=C(N1)C(=S)N=CN2'; added: monoisotopic_mass |
| 255,978 | chebi_altlabels | altLabel | [] | [{"@value":"1,7-Dihydro-6H-purine-6-thione","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wa… | Added 24 ChEBI synonym(s) as altLabel from 3 linked ChEBI record(s) |
| 268,580 | consensus_match | altLabel | [{"@value":"1,7-Dihydro-6H-purine-6-thione","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wa… | [{"@value":"1,7-Dihydro-6H-purine-6-thione","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wa… | group_key=mercaptopurine||dimension=Environmental > media=Water > water_body=Long-term; cas=50-44-2; added Common Chemistry CAS names as altLabel: 1,9-Dihydro-6<em>H</em>-purine-6-thione, 1,9-Dihydro-purine-6-thione, 1<em>H</em>-Purine, 6-mercapto-, 3,7-Dihydropurine-6-thione, 6-Mercaptopurin, 6-Thiopurine, 6<em>H</em>-Purine-6-thione, 1,7-dihydro-, 6<em>H</em>-Purine-6-thione, 1,9-dihydro-, 7-Mercapto-1,3,4,6-tetrazaindene, 9<em>H</em>-Purine-6(1<em>H</em>)-thione, Hypoxanthine, thio-, Ismipur, Leukerin, Leupurin, MeSH ID: D015122, Mercaleukim, Mercaleukin, Mern, NSC 55477, NSC 68293, NSC 755, Purine-6(1<em>H</em>)-thione, Purine-6-thiol, Purine-6-thione, Purixan, U 4748; object_uuid=fo-80fed56ffb74b766 |
| 268,581 | consensus_match | cas_match_labels | — | {"50-44-2":"exactMatch"} | group_key=mercaptopurine||dimension=Environmental > media=Water > water_body=Long-term; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'50-44-2': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-80fed56ffb74b766: {'50-44-2': 'exactMatch'} |
| 276,644 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H4N4S"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H4N4S"],… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Mercaptopurine' |
| 283,270 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H4N4S"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H4N4S"],… | rdkit_post_consensus from 'S=c1nc[nH]c2nc[nH]c12'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 289,632 | strip_catalogue_altlabels | altLabel | [{"@value":"1,7-Dihydro-6H-purine-6-thione","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wa… | [{"@value":"1,7-Dihydro-6H-purine-6-thione","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wa… | Removed 4 catalogue altLabel value(s): 'NSC 55477' (registry code), 'NSC 68293' (registry code), 'NSC 755' (registry code), 'U 4748' (grade code) |
| 303,209 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/0d6d6e80-f2a9-… | associations resolved on the elementary layer |
| 307,243 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/1804e668-2ebb-… | associations resolved on the elementary layer |
| 308,581 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/1c601ae9-ea28-… | associations resolved on the elementary layer |
| 312,373 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/27d44bb1-8f3b-… | associations resolved on the elementary layer |
| 315,153 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/2f991608-e08e-… | associations resolved on the elementary layer |
| 319,512 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/3d485d0f-e0a5-… | associations resolved on the elementary layer |
| 323,157 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/485d1b16-d465-… | associations resolved on the elementary layer |