Simetryn
Everything that changed this substance, across every flow that resolves to it. Back to the substance
fo-3202c29e02924fdd
Changes
58| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 18,563 | bootstrap_labels | prefLabel | — | [{"@value":"simetryn","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"conse… | Bootstrapped prefLabel from legacy name field |
| 18,564 | bootstrap_labels | name | simetryn | — | Purged legacy name field to enforce prefLabel usage |
| 18,565 | bootstrap_labels | synonyms | ["1,3,5-Triazine-2,4-diamine, N,N'-diethyl-6-(methylthio)-","1,3,5-Triazine-2,4-diamine, N,N'-diethyl-6-(methylthio)- (… | [] | Removed legacy synonyms field in favor of structured labels |
| 23,528 | bootstrap_labels | synonyms | ["2,4-bis(ethylamino)-6-methylthio-1,3,5-triazine","simetryn","simetryn(iso)","2-n,4-n-diethyl-6-(methylsulfanyl)-1,3,5… | [] | Removed legacy synonyms field in favor of structured labels |
| 59,664 | 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 |
| 59,665 | 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 |
| 75,540 | 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) |
| 75,541 | 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) |
| 83,222 | 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 |
| 83,223 | 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 |
| 87,228 | 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) |
| 87,229 | 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) |
| 113,248 | 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 |
| 113,249 | 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 |
| 119,346 | 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 |
| 119,347 | 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 |
| 135,138 | 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 |
| 135,139 | 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 |
| 135,476 | 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 |
| 135,477 | 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 |
| 151,884 | 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 |
| 151,885 | 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 |
| 160,438 | 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 |
| 160,439 | 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 |
| 190,374 | 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 |
| 190,375 | 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 |
| 195,694 | 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 |
| 195,695 | 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 |
| 212,636 | 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 |
| 212,637 | 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 |
| 219,411 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 225,329 | normalize_name_case | prefLabel | [{"@value":"simetryn","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"conse… | [{"@value":"Simetryn","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"conse… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 244,520 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H15N5S"]… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 244,521 | enrich_references | skos_definition | — | [{"@value":"A diamino-1,3,5-triazine that is N,N'-diethyl-1,3,5-triazine-2,4-diamine substituted by a methylthio group… | Merged ChEBI/PubChem definitions into skos:definition |
| 244,522 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.657I","provenance":{"prov:wasGeneratedBy":"enrich_reference… | Added references with provenance; cas_numbers=['1014-70-6']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_34976']; candidate_pubchem_cids=[13905]; selected_pubchem_cids=[13905]; 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 |
| 253,321 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H15N5S"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H15N5S"]… | rdkit_pre_consensus from 'CCNC1=NC(=NC(=N1)SC)NCC'; added: monoisotopic_mass |
| 256,826 | chebi_altlabels | altLabel | [] | [{"@value":"2,4-Di(ethylamino)-6-methylthio-1,3,5-triazine","@language":"en","source":{"prov:wasGeneratedBy":"chebi_alt… | Added 9 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 271,669 | consensus_match | altLabel | [{"@value":"2,4-Di(ethylamino)-6-methylthio-1,3,5-triazine","@language":"en","source":{"prov:wasGeneratedBy":"chebi_alt… | [{"@value":"2,4-Di(ethylamino)-6-methylthio-1,3,5-triazine","@language":"en","source":{"prov:wasGeneratedBy":"chebi_alt… | group_key=simetryn||dimension=Environmental > media=Water > water_body=Ocean; cas=1014-70-6; added Common Chemistry CAS names as altLabel: 1,3,5-Triazine-2,4-diamine, <em>N</em>,<em>N</em>′-diethyl-6-(methylthio)-, 1,3,5-Triazine-2,4-diamine, <em>N</em><sup>2</sup>,<em>N</em><sup>4</sup>-diethyl-6-(methylthio)-, 2,4-Bis(ethylamino)-6-methylmercapto-<em>s</em>-triazine, 2,4-Diethylamino-6-methylthio-1,3,5-triazine, 2-Methylmercapto-4,6-bis(ethylamino)-<em>s</em>-triazine, 2-Methylthio-4-ethylamino-6-ethylamino-<em>s</em>-triazine, 4,6-Bis(ethylamino)-2-methylthio-1,3,5-triazine, 6-Methylthio-2,4-bis(ethylamino)-<em>s</em>-triazine, <em>N</em>,<em>N</em>′-Diethyl-6-(methylthio)-1,3,5-triazine-2,4-diamine, <em>N</em><sup>2</sup>,<em>N</em><sup>4</sup>-Diethyl-6-(methylthio)-1,3,5-triazine-2,4-diamine, <em>s</em>-Triazine, 2,4-bis(ethylamino)-6-(methylthio)-, G 32911, Gybon, NSC 163051, Simetryne; object_uuid=fo-3202c29e02924fdd |
| 271,670 | consensus_match | cas_match_labels | — | {"1014-70-6":"exactMatch"} | group_key=simetryn||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'1014-70-6': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-3202c29e02924fdd: {'1014-70-6': 'exactMatch'} |
| 278,546 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H15N5S"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H15N5S"]… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '2,4-Di(ethylamino)-6-methylthio-1,3,5-triazine' |
| 285,314 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H15N5S"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H15N5S"]… | rdkit_post_consensus from 'CCNc1nc(NCC)nc(SC)n1'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 291,015 | strip_catalogue_altlabels | altLabel | [{"@value":"2,4-Di(ethylamino)-6-methylthio-1,3,5-triazine","@language":"en","source":{"prov:wasGeneratedBy":"chebi_alt… | [{"@value":"2,4-Di(ethylamino)-6-methylthio-1,3,5-triazine","@language":"en","source":{"prov:wasGeneratedBy":"chebi_alt… | Removed 2 catalogue altLabel value(s): 'G 32911' (grade code), 'NSC 163051' (registry code) |
| 310,871 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/2297cea1-1368-… | associations resolved on the elementary layer |
| 318,805 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/3ac55034-b144-… | associations resolved on the elementary layer |
| 322,645 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/4678a749-72a8-… | associations resolved on the elementary layer |
| 324,650 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/4d81c46c-a858-… | associations resolved on the elementary layer |
| 337,643 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/6a9df9aa-27b8-… | associations resolved on the elementary layer |
| 340,691 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/74cf672c-34a4-… | associations resolved on the elementary layer |
| 348,585 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/8f9c4625-d29e-… | associations resolved on the elementary layer |
| 348,754 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/903695e8-d466-… | associations resolved on the elementary layer |