Pentane
Everything that changed this flow. Back to the flow
4d9a8790-3ddd-11dd-964a-0050c2490048
By field
13 fields| Field | Changes | Written by | Latest note |
|---|---|---|---|
| properties | 4 | enrich_references, normalise_property_values, opsin_iupac, rdkit_post_consensus | typed the way the ontology types it |
| altLabel | 3 | chebi_altlabels, consensus_match, strip_catalogue_altlabels | Removed 4 catalogue altLabel value(s): 'E 0121' (grade code), 'M 004' (grade code), 'MG 132' (grade code), 'NSC 72415' (registry code) |
| 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=pentane||dimension=Environmental > media=Air > strata=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'109-66-0': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-ea36b5db1c4211fa: {'109-66-0': '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 water > Emissions to water, unspecified (long-term) |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified (long-term) |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['109-66-0']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_37830']; candidate_pubchem_cids=[8003, 53867850]; selected_pubchem_cids=[8003]; 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
19| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 8,852 | bootstrap_labels | prefLabel | — | [{"@value":"pentane","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"consen… | Bootstrapped prefLabel from legacy name field |
| 8,853 | bootstrap_labels | name | pentane | — | Purged legacy name field to enforce prefLabel usage |
| 8,854 | bootstrap_labels | synonyms | ["300158X","AB1003467","AC1L1Q1I","Amyl hydride","CPD-9285","Hydrocarbons, C4","Hydrocarbons, C4-6, C5-rich","Hydrocarb… | [] | Removed legacy synonyms field in favor of structured labels |
| 92,238 | 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) |
| 92,239 | 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) |
| 216,285 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 223,181 | normalize_name_case | prefLabel | [{"@value":"pentane","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"consen… | [{"@value":"Pentane","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"consen… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 235,649 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H12"],"a… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 235,650 | enrich_references | skos_definition | — | [{"@value":"A straight chain alkane consisting of 5 carbon atoms.","@language":"en","provenance":{"prov:wasGeneratedBy"… | Merged ChEBI/PubChem definitions into skos:definition |
| 235,651 | enrich_references | references | [] | [{"@id":"beilstein:969132","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedTo":"… | Added references with provenance; cas_numbers=['109-66-0']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_37830']; candidate_pubchem_cids=[8003, 53867850]; selected_pubchem_cids=[8003]; 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 |
| 255,643 | chebi_altlabels | altLabel | [] | [{"@value":"CH3-[CH2]3-CH3","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"… | Added 4 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 270,456 | consensus_match | altLabel | [{"@value":"CH3-[CH2]3-CH3","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"… | [{"@value":"CH3-[CH2]3-CH3","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"… | group_key=pentane||dimension=Environmental > media=Air > strata=Unknown; cas=109-66-0; added Common Chemistry CAS names as altLabel: E 0121, Exxsol Pentane 80, Guchen MG 132, M 004, MG 132, NSC 72415, Norpar 5S, Skellysolve A; object_uuid=fo-ea36b5db1c4211fa |
| 270,457 | consensus_match | cas_match_labels | — | {"109-66-0":"exactMatch"} | group_key=pentane||dimension=Environmental > media=Air > strata=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'109-66-0': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-ea36b5db1c4211fa: {'109-66-0': 'exactMatch'} |
| 275,925 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H12"],"a… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H12"],"a… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Pentane' |
| 282,493 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H12"],"a… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H12"],"a… | rdkit_post_consensus from 'CCCCC'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 289,101 | strip_catalogue_altlabels | altLabel | [{"@value":"CH3-[CH2]3-CH3","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"… | [{"@value":"CH3-[CH2]3-CH3","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"… | Removed 4 catalogue altLabel value(s): 'E 0121' (grade code), 'M 004' (grade code), 'MG 132' (grade code), 'NSC 72415' (registry code) |
| 327,125 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/4d9a8790-3ddd-… | associations resolved on the elementary layer |
| 390,272 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H12"],"a… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H12"],"a… | typed the way the ontology types it |
| 397,809 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
PROV-O trail
19 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/20260822T0600486828500000/8852 | prefLabel | ef:agent/bootstrap_labels | ef:flow/4d9a8790-3ddd-11dd-964a-0050c2490048/v0 | ef:flow/4d9a8790-3ddd-11dd-964a-0050c2490048/v1 |
| ef:activity/change/20260822T0600486828500000/8853 | name | ef:agent/bootstrap_labels | ef:flow/4d9a8790-3ddd-11dd-964a-0050c2490048/v1 | ef:flow/4d9a8790-3ddd-11dd-964a-0050c2490048/v2 |
| ef:activity/change/20260822T0600486828500000/8854 | synonyms | ef:agent/bootstrap_labels | ef:flow/4d9a8790-3ddd-11dd-964a-0050c2490048/v2 | ef:flow/4d9a8790-3ddd-11dd-964a-0050c2490048/v3 |
| ef:activity/change/20260822T0600486828500000/92238 | context | ef:agent/default_context_mapping | ef:flow/4d9a8790-3ddd-11dd-964a-0050c2490048/v3 | ef:flow/4d9a8790-3ddd-11dd-964a-0050c2490048/v4 |
| ef:activity/change/20260822T0600486828500000/92239 | context_iri | ef:agent/default_context_mapping | ef:flow/4d9a8790-3ddd-11dd-964a-0050c2490048/v4 | ef:flow/4d9a8790-3ddd-11dd-964a-0050c2490048/v5 |
| ef:activity/change/20260822T0600486828500000/216285 | unit_iri | ef:agent/unit_normalization | ef:flow/4d9a8790-3ddd-11dd-964a-0050c2490048/v5 | ef:flow/4d9a8790-3ddd-11dd-964a-0050c2490048/v6 |
| ef:activity/change/20260822T0600486828500000/223181 | prefLabel | ef:agent/normalize_name_case | ef:flow/4d9a8790-3ddd-11dd-964a-0050c2490048/v6 | ef:flow/4d9a8790-3ddd-11dd-964a-0050c2490048/v7 |
| ef:activity/change/20260822T0600486828500000/235649 | properties | ef:agent/enrich_references | ef:flow/4d9a8790-3ddd-11dd-964a-0050c2490048/v7 | ef:flow/4d9a8790-3ddd-11dd-964a-0050c2490048/v8 |
| ef:activity/change/20260822T0600486828500000/235650 | skos_definition | ef:agent/enrich_references | ef:flow/4d9a8790-3ddd-11dd-964a-0050c2490048/v8 | ef:flow/4d9a8790-3ddd-11dd-964a-0050c2490048/v9 |
| ef:activity/change/20260822T0600486828500000/235651 | references | ef:agent/enrich_references | ef:flow/4d9a8790-3ddd-11dd-964a-0050c2490048/v9 | ef:flow/4d9a8790-3ddd-11dd-964a-0050c2490048/v10 |
| ef:activity/change/20260822T0600486828500000/255643 | altLabel | ef:agent/chebi_altlabels | ef:flow/4d9a8790-3ddd-11dd-964a-0050c2490048/v10 | ef:flow/4d9a8790-3ddd-11dd-964a-0050c2490048/v11 |
| ef:activity/change/20260822T0600486828500000/270456 | altLabel | ef:agent/consensus_match | ef:flow/4d9a8790-3ddd-11dd-964a-0050c2490048/v11 | ef:flow/4d9a8790-3ddd-11dd-964a-0050c2490048/v12 |
| ef:activity/change/20260822T0600486828500000/270457 | cas_match_labels | ef:agent/consensus_match | ef:flow/4d9a8790-3ddd-11dd-964a-0050c2490048/v12 | ef:flow/4d9a8790-3ddd-11dd-964a-0050c2490048/v13 |
| ef:activity/change/20260822T0600486828500000/275925 | properties | ef:agent/opsin_iupac | ef:flow/4d9a8790-3ddd-11dd-964a-0050c2490048/v13 | ef:flow/4d9a8790-3ddd-11dd-964a-0050c2490048/v14 |
| ef:activity/change/20260822T0600486828500000/282493 | properties | ef:agent/rdkit_post_consensus | ef:flow/4d9a8790-3ddd-11dd-964a-0050c2490048/v14 | ef:flow/4d9a8790-3ddd-11dd-964a-0050c2490048/v15 |
| ef:activity/change/20260822T0600486828500000/289101 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/4d9a8790-3ddd-11dd-964a-0050c2490048/v15 | ef:flow/4d9a8790-3ddd-11dd-964a-0050c2490048/v16 |
| ef:activity/change/20260822T0600486828500000/327125 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/4d9a8790-3ddd-11dd-964a-0050c2490048/v16 | ef:flow/4d9a8790-3ddd-11dd-964a-0050c2490048/v17 |
| ef:activity/change/20260822T0600486828500000/390272 | properties | ef:agent/normalise_property_values | ef:flow/4d9a8790-3ddd-11dd-964a-0050c2490048/v17 | ef:flow/4d9a8790-3ddd-11dd-964a-0050c2490048/v18 |
| ef:activity/change/20260822T0600486828500000/397809 | types | ef:agent/link_flows_to_their_substance | ef:flow/4d9a8790-3ddd-11dd-964a-0050c2490048/v18 | ef:flow/4d9a8790-3ddd-11dd-964a-0050c2490048/v19 |