Pentaerythritol
Everything that changed this flow. Back to the flow
b2f4824e-c288-4dd2-829d-645fbfcd3199
By field
13 fields| Field | Changes | Written by | Latest note |
|---|---|---|---|
| properties | 5 | enrich_references, normalise_property_values, opsin_iupac, rdkit_post_consensus, rdkit_pre_consensus | typed the way the ontology types it |
| altLabel | 3 | chebi_altlabels, consensus_match, strip_catalogue_altlabels | 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) |
| prefLabel | 2 | bootstrap_labels, normalize_name_case | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| cas_match_labels | 1 | consensus_match | 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'} |
| concept_associations | 1 | carry_associations_onto_flows | associations resolved on the elementary layer |
| context | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to non-urban air or from high stacks |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to non-urban air or from high stacks |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | 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 |
| skos_definition | 1 | enrich_references | Merged ChEBI/PubChem definitions into skos:definition |
| synonyms | 1 | bootstrap_labels | Removed legacy synonyms field in favor of structured labels |
| types | 1 | link_flows_to_their_substance | the substance's answer, copied onto its flow |
| unit_iri | 1 | unit_normalization | Unit IRI set from normalization of 'kg' |
Where several steps wrote one field, the last one won — and the log below shows the sequence.
Changes
20| # | 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 |
| 156,142 | 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 |
| 156,143 | 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 |
| 215,351 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 222,484 | 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) |
| 232,973 | 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) |
| 232,974 | 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 |
| 232,975 | 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 |
| 249,986 | 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 |
| 255,131 | 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) |
| 270,436 | 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 |
| 270,437 | 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'} |
| 275,120 | 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' |
| 281,617 | 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 |
| 288,480 | 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) |
| 359,095 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/b2f4824e-c288-… | associations resolved on the elementary layer |
| 389,427 | normalise_property_values | 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"],… | typed the way the ontology types it |
| 396,575 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
PROV-O trail
20 activitiesOne activity per change: which version of the flow it consumed, and which it produced. The values are on the change with the same number — stored once, not twice.
| Activity | Field | Agent | Used | Generated |
|---|---|---|---|---|
| ef:activity/change/20260822T0600486828500000/6024 | prefLabel | ef:agent/bootstrap_labels | ef:flow/b2f4824e-c288-4dd2-829d-645fbfcd3199/v0 | ef:flow/b2f4824e-c288-4dd2-829d-645fbfcd3199/v1 |
| ef:activity/change/20260822T0600486828500000/6025 | name | ef:agent/bootstrap_labels | ef:flow/b2f4824e-c288-4dd2-829d-645fbfcd3199/v1 | ef:flow/b2f4824e-c288-4dd2-829d-645fbfcd3199/v2 |
| ef:activity/change/20260822T0600486828500000/6026 | synonyms | ef:agent/bootstrap_labels | ef:flow/b2f4824e-c288-4dd2-829d-645fbfcd3199/v2 | ef:flow/b2f4824e-c288-4dd2-829d-645fbfcd3199/v3 |
| ef:activity/change/20260822T0600486828500000/156142 | context | ef:agent/default_context_mapping | ef:flow/b2f4824e-c288-4dd2-829d-645fbfcd3199/v3 | ef:flow/b2f4824e-c288-4dd2-829d-645fbfcd3199/v4 |
| ef:activity/change/20260822T0600486828500000/156143 | context_iri | ef:agent/default_context_mapping | ef:flow/b2f4824e-c288-4dd2-829d-645fbfcd3199/v4 | ef:flow/b2f4824e-c288-4dd2-829d-645fbfcd3199/v5 |
| ef:activity/change/20260822T0600486828500000/215351 | unit_iri | ef:agent/unit_normalization | ef:flow/b2f4824e-c288-4dd2-829d-645fbfcd3199/v5 | ef:flow/b2f4824e-c288-4dd2-829d-645fbfcd3199/v6 |
| ef:activity/change/20260822T0600486828500000/222484 | prefLabel | ef:agent/normalize_name_case | ef:flow/b2f4824e-c288-4dd2-829d-645fbfcd3199/v6 | ef:flow/b2f4824e-c288-4dd2-829d-645fbfcd3199/v7 |
| ef:activity/change/20260822T0600486828500000/232973 | properties | ef:agent/enrich_references | ef:flow/b2f4824e-c288-4dd2-829d-645fbfcd3199/v7 | ef:flow/b2f4824e-c288-4dd2-829d-645fbfcd3199/v8 |
| ef:activity/change/20260822T0600486828500000/232974 | skos_definition | ef:agent/enrich_references | ef:flow/b2f4824e-c288-4dd2-829d-645fbfcd3199/v8 | ef:flow/b2f4824e-c288-4dd2-829d-645fbfcd3199/v9 |
| ef:activity/change/20260822T0600486828500000/232975 | references | ef:agent/enrich_references | ef:flow/b2f4824e-c288-4dd2-829d-645fbfcd3199/v9 | ef:flow/b2f4824e-c288-4dd2-829d-645fbfcd3199/v10 |
| ef:activity/change/20260822T0600486828500000/249986 | properties | ef:agent/rdkit_pre_consensus | ef:flow/b2f4824e-c288-4dd2-829d-645fbfcd3199/v10 | ef:flow/b2f4824e-c288-4dd2-829d-645fbfcd3199/v11 |
| ef:activity/change/20260822T0600486828500000/255131 | altLabel | ef:agent/chebi_altlabels | ef:flow/b2f4824e-c288-4dd2-829d-645fbfcd3199/v11 | ef:flow/b2f4824e-c288-4dd2-829d-645fbfcd3199/v12 |
| ef:activity/change/20260822T0600486828500000/270436 | altLabel | ef:agent/consensus_match | ef:flow/b2f4824e-c288-4dd2-829d-645fbfcd3199/v12 | ef:flow/b2f4824e-c288-4dd2-829d-645fbfcd3199/v13 |
| ef:activity/change/20260822T0600486828500000/270437 | cas_match_labels | ef:agent/consensus_match | ef:flow/b2f4824e-c288-4dd2-829d-645fbfcd3199/v13 | ef:flow/b2f4824e-c288-4dd2-829d-645fbfcd3199/v14 |
| ef:activity/change/20260822T0600486828500000/275120 | properties | ef:agent/opsin_iupac | ef:flow/b2f4824e-c288-4dd2-829d-645fbfcd3199/v14 | ef:flow/b2f4824e-c288-4dd2-829d-645fbfcd3199/v15 |
| ef:activity/change/20260822T0600486828500000/281617 | properties | ef:agent/rdkit_post_consensus | ef:flow/b2f4824e-c288-4dd2-829d-645fbfcd3199/v15 | ef:flow/b2f4824e-c288-4dd2-829d-645fbfcd3199/v16 |
| ef:activity/change/20260822T0600486828500000/288480 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/b2f4824e-c288-4dd2-829d-645fbfcd3199/v16 | ef:flow/b2f4824e-c288-4dd2-829d-645fbfcd3199/v17 |
| ef:activity/change/20260822T0600486828500000/359095 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/b2f4824e-c288-4dd2-829d-645fbfcd3199/v17 | ef:flow/b2f4824e-c288-4dd2-829d-645fbfcd3199/v18 |
| ef:activity/change/20260822T0600486828500000/389427 | properties | ef:agent/normalise_property_values | ef:flow/b2f4824e-c288-4dd2-829d-645fbfcd3199/v18 | ef:flow/b2f4824e-c288-4dd2-829d-645fbfcd3199/v19 |
| ef:activity/change/20260822T0600486828500000/396575 | types | ef:agent/link_flows_to_their_substance | ef:flow/b2f4824e-c288-4dd2-829d-645fbfcd3199/v19 | ef:flow/b2f4824e-c288-4dd2-829d-645fbfcd3199/v20 |