Pentaerythritol
Everything that changed this substance, across every flow that resolves to it. Back to the substance
fo-53d71e5de43a3b21
Changes
57| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 6,024 | bootstrap_labels | prefLabel | — | [{"@value":"pentaerythritol","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo"… | Bootstrapped prefLabel from legacy name field |
| 6,025 | bootstrap_labels | name | pentaerythritol | — | Purged legacy name field to enforce prefLabel usage |
| 6,026 | bootstrap_labels | synonyms | ["1,3-Propanediol, 2,2-bis(hydroxymethyl)-","2,2-Bis(hydroxymethyl)-1,3-propanediol","2,2-Bishydroxymethyl-1,3-propaned… | [] | Removed legacy synonyms field in favor of structured labels |
| 6,304 | bootstrap_labels | synonyms | ["pentaerythritol","1,3-propanediol, 2,2-bis(hydroxymethyl)-","pentaerytritol","2,2-bis(hydroxymethyl)propane-1,3-diol"… | [] | Removed legacy synonyms field in favor of structured labels |
| 31,225 | 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 |
| 31,226 | 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 |
| 31,463 | 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 |
| 31,464 | 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 |
| 68,457 | 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 |
| 68,458 | 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 |
| 75,525 | 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 |
| 75,526 | 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 |
| 75,905 | 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) |
| 75,906 | 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) |
| 85,089 | 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) |
| 85,090 | 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) |
| 119,001 | 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 |
| 119,002 | 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 |
| 122,991 | 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 |
| 122,992 | 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 |
| 123,257 | 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 |
| 123,258 | 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 |
| 150,095 | 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 |
| 150,096 | 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 |
| 156,145 | 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 |
| 156,146 | 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 |
| 162,091 | 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 |
| 162,092 | 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 |
| 175,665 | 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 |
| 175,666 | 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 |
| 215,354 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 222,488 | normalize_name_case | prefLabel | [{"@value":"pentaerythritol","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo"… | [{"@value":"Pentaerythritol","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo"… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 232,977 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H12O4"],… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 232,978 | enrich_references | skos_definition | — | [{"@value":"A tetrol that is neopentane in which one of the methyl hydrogens of all four methyl groups are replaced by… | Merged ChEBI/PubChem definitions into skos:definition |
| 232,979 | enrich_references | references | [] | [{"@id":"drugcentral:2085","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedTo":"… | Added references with provenance; cas_numbers=['115-77-5']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_134760']; candidate_pubchem_cids=[8285]; selected_pubchem_cids=[8285]; 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 |
| 249,993 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H12O4"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H12O4"],… | rdkit_pre_consensus from 'C(C(CO)(CO)CO)O'; added: monoisotopic_mass |
| 255,139 | chebi_altlabels | altLabel | [] | [{"@value":"1,1,1-tris(hydroxymethyl)ethanol","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:… | Added 21 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 270,438 | consensus_match | altLabel | [{"@value":"1,1,1-tris(hydroxymethyl)ethanol","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:… | [{"@value":"1,1,1-tris(hydroxymethyl)ethanol","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:… | group_key=pentaerythritol||dimension=Environmental > media=Water > water_body=Surface water; cas=115-77-5; added Common Chemistry CAS names as altLabel: 1,3-Propanediol, 2,2-bis(hydroxymethyl)-, 2,2-Bis(hydroxymethyl)propan-1,3-diol, Addforce FR-Penta M 40, CP 500G, Charmor PM, Charmor PM 15, Charmor PM 40, Charmor PT 40, Flammex DPE, HT 217, Hercules P 6, JLS Penta, JP-A 9301, Microlon 93, NSC 8100, Neulizer P, Noirizer P, P 100, P 100 (alcohol), PE 200, PE 200 (diol), PER, PET 020, Penta F 40, Penta Powder 325, Penta-R, Pentaerythrotol, Pentarit, Pentarit S, Pentarit T, Pentarit TS, RN-P 15, Voxtar M 100, Voxtar M 40; object_uuid=fo-53d71e5de43a3b21 |
| 270,439 | consensus_match | cas_match_labels | — | {"115-77-5":"exactMatch"} | group_key=pentaerythritol||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'115-77-5': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-53d71e5de43a3b21: {'115-77-5': 'exactMatch'} |
| 275,126 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H12O4"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H12O4"],… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Pentaerythritol' |
| 281,623 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H12O4"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H12O4"],… | rdkit_post_consensus from 'OCC(CO)(CO)CO'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 288,493 | strip_catalogue_altlabels | altLabel | [{"@value":"1,1,1-tris(hydroxymethyl)ethanol","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:… | [{"@value":"1,1,1-tris(hydroxymethyl)ethanol","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:… | Removed 9 catalogue altLabel value(s): 'CP 500G' (grade code), 'HT 217' (grade code), 'NSC 8100' (registry code), 'P 100' (grade code), 'P 100 (alcohol)' (grade code), 'PE 200' (grade code), 'PE 200 (diol)' (grade code), 'PET 020' (grade code), 'Penta Powder 325' (trade name) |
| 296,690 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/078fd0dd-6335-… | associations resolved on the elementary layer |
| 296,809 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/07f3d80e-d80b-… | associations resolved on the elementary layer |
| 315,284 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/2fe31c9f-5976-… | associations resolved on the elementary layer |
| 318,815 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/3ac2721c-cbcb-… | associations resolved on the elementary layer |
| 319,005 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/3b6d3c2c-2572-… | associations resolved on the elementary layer |
| 323,597 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/49c55199-d20f-… | associations resolved on the elementary layer |
| 340,533 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/742fa3fa-2e93-… | associations resolved on the elementary layer |
| 342,528 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/7b516edc-bc61-… | associations resolved on the elementary layer |