Hexadecane
Everything that changed this flow. Back to the flow
08a91e70-3ddc-11dd-9472-0050c2490048
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 4 catalogue altLabel value(s): 'MPCM 18D' (grade code), 'NSC 7334' (registry code), 'S 6 (alkane)' (grade code), 'TS 6' (grade 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=hexadecane||dimension=Environmental > media=Air > strata=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'544-76-3': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-ce6bdbc79b390861: {'544-76-3': '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=['544-76-3']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_45296']; candidate_pubchem_cids=[11006]; selected_pubchem_cids=[11006]; 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 |
|---|---|---|---|---|---|
| 7,456 | bootstrap_labels | prefLabel | — | [{"@value":"hexadecane","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"con… | Bootstrapped prefLabel from legacy name field |
| 7,457 | bootstrap_labels | name | hexadecane | — | Purged legacy name field to enforce prefLabel usage |
| 7,458 | bootstrap_labels | synonyms | ["AC1L1WFB","CPD-8509","Cetane","H0066","QSPL 025","QSPL 078","QSPL 116","Reference Material for Flash Point Certified… | [] | Removed legacy synonyms field in favor of structured labels |
| 34,266 | 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 |
| 34,267 | 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 |
| 215,828 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 222,825 | normalize_name_case | prefLabel | [{"@value":"hexadecane","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"con… | [{"@value":"Hexadecane","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"con… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 234,320 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H34"],"… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 234,321 | enrich_references | skos_definition | — | [{"@value":"A straight-chain alkane with 16 carbon atoms. It is a component of essential oil isolated from long pepper.… | Merged ChEBI/PubChem definitions into skos:definition |
| 234,322 | enrich_references | references | [] | [{"@id":"beilstein:1736592","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedTo":… | Added references with provenance; cas_numbers=['544-76-3']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_45296']; candidate_pubchem_cids=[11006]; selected_pubchem_cids=[11006]; 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 |
| 250,372 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H34"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H34"],"… | rdkit_pre_consensus from 'CCCCCCCCCCCCCCCC'; added: monoisotopic_mass |
| 255,363 | chebi_altlabels | altLabel | [] | [{"@value":"CH3-[CH2]14-CH3","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":… | Added 7 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 267,631 | consensus_match | altLabel | [{"@value":"CH3-[CH2]14-CH3","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":… | [{"@value":"CH3-[CH2]14-CH3","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":… | group_key=hexadecane||dimension=Environmental > media=Air > strata=Unknown; cas=544-76-3; added Common Chemistry CAS names as altLabel: MPCM 18D, NSC 7334, S 6 (alkane), TS 6, TS Paraffin TS 6; object_uuid=fo-ce6bdbc79b390861 |
| 267,632 | consensus_match | cas_match_labels | — | {"544-76-3":"exactMatch"} | group_key=hexadecane||dimension=Environmental > media=Air > strata=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'544-76-3': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-ce6bdbc79b390861: {'544-76-3': 'exactMatch'} |
| 275,532 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H34"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H34"],"… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Hexadecane' |
| 282,053 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H34"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H34"],"… | rdkit_post_consensus from 'CCCCCCCCCCCCCCCC'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 288,793 | strip_catalogue_altlabels | altLabel | [{"@value":"CH3-[CH2]14-CH3","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":… | [{"@value":"CH3-[CH2]14-CH3","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":… | Removed 4 catalogue altLabel value(s): 'MPCM 18D' (grade code), 'NSC 7334' (registry code), 'S 6 (alkane)' (grade code), 'TS 6' (grade code) |
| 298,167 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/08a91e70-3ddc-… | associations resolved on the elementary layer |
| 389,843 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H34"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H34"],"… | typed the way the ontology types it |
| 397,191 | 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/20260822T0600486828500000/7456 | prefLabel | ef:agent/bootstrap_labels | ef:flow/08a91e70-3ddc-11dd-9472-0050c2490048/v0 | ef:flow/08a91e70-3ddc-11dd-9472-0050c2490048/v1 |
| ef:activity/change/20260822T0600486828500000/7457 | name | ef:agent/bootstrap_labels | ef:flow/08a91e70-3ddc-11dd-9472-0050c2490048/v1 | ef:flow/08a91e70-3ddc-11dd-9472-0050c2490048/v2 |
| ef:activity/change/20260822T0600486828500000/7458 | synonyms | ef:agent/bootstrap_labels | ef:flow/08a91e70-3ddc-11dd-9472-0050c2490048/v2 | ef:flow/08a91e70-3ddc-11dd-9472-0050c2490048/v3 |
| ef:activity/change/20260822T0600486828500000/34266 | context | ef:agent/default_context_mapping | ef:flow/08a91e70-3ddc-11dd-9472-0050c2490048/v3 | ef:flow/08a91e70-3ddc-11dd-9472-0050c2490048/v4 |
| ef:activity/change/20260822T0600486828500000/34267 | context_iri | ef:agent/default_context_mapping | ef:flow/08a91e70-3ddc-11dd-9472-0050c2490048/v4 | ef:flow/08a91e70-3ddc-11dd-9472-0050c2490048/v5 |
| ef:activity/change/20260822T0600486828500000/215828 | unit_iri | ef:agent/unit_normalization | ef:flow/08a91e70-3ddc-11dd-9472-0050c2490048/v5 | ef:flow/08a91e70-3ddc-11dd-9472-0050c2490048/v6 |
| ef:activity/change/20260822T0600486828500000/222825 | prefLabel | ef:agent/normalize_name_case | ef:flow/08a91e70-3ddc-11dd-9472-0050c2490048/v6 | ef:flow/08a91e70-3ddc-11dd-9472-0050c2490048/v7 |
| ef:activity/change/20260822T0600486828500000/234320 | properties | ef:agent/enrich_references | ef:flow/08a91e70-3ddc-11dd-9472-0050c2490048/v7 | ef:flow/08a91e70-3ddc-11dd-9472-0050c2490048/v8 |
| ef:activity/change/20260822T0600486828500000/234321 | skos_definition | ef:agent/enrich_references | ef:flow/08a91e70-3ddc-11dd-9472-0050c2490048/v8 | ef:flow/08a91e70-3ddc-11dd-9472-0050c2490048/v9 |
| ef:activity/change/20260822T0600486828500000/234322 | references | ef:agent/enrich_references | ef:flow/08a91e70-3ddc-11dd-9472-0050c2490048/v9 | ef:flow/08a91e70-3ddc-11dd-9472-0050c2490048/v10 |
| ef:activity/change/20260822T0600486828500000/250372 | properties | ef:agent/rdkit_pre_consensus | ef:flow/08a91e70-3ddc-11dd-9472-0050c2490048/v10 | ef:flow/08a91e70-3ddc-11dd-9472-0050c2490048/v11 |
| ef:activity/change/20260822T0600486828500000/255363 | altLabel | ef:agent/chebi_altlabels | ef:flow/08a91e70-3ddc-11dd-9472-0050c2490048/v11 | ef:flow/08a91e70-3ddc-11dd-9472-0050c2490048/v12 |
| ef:activity/change/20260822T0600486828500000/267631 | altLabel | ef:agent/consensus_match | ef:flow/08a91e70-3ddc-11dd-9472-0050c2490048/v12 | ef:flow/08a91e70-3ddc-11dd-9472-0050c2490048/v13 |
| ef:activity/change/20260822T0600486828500000/267632 | cas_match_labels | ef:agent/consensus_match | ef:flow/08a91e70-3ddc-11dd-9472-0050c2490048/v13 | ef:flow/08a91e70-3ddc-11dd-9472-0050c2490048/v14 |
| ef:activity/change/20260822T0600486828500000/275532 | properties | ef:agent/opsin_iupac | ef:flow/08a91e70-3ddc-11dd-9472-0050c2490048/v14 | ef:flow/08a91e70-3ddc-11dd-9472-0050c2490048/v15 |
| ef:activity/change/20260822T0600486828500000/282053 | properties | ef:agent/rdkit_post_consensus | ef:flow/08a91e70-3ddc-11dd-9472-0050c2490048/v15 | ef:flow/08a91e70-3ddc-11dd-9472-0050c2490048/v16 |
| ef:activity/change/20260822T0600486828500000/288793 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/08a91e70-3ddc-11dd-9472-0050c2490048/v16 | ef:flow/08a91e70-3ddc-11dd-9472-0050c2490048/v17 |
| ef:activity/change/20260822T0600486828500000/298167 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/08a91e70-3ddc-11dd-9472-0050c2490048/v17 | ef:flow/08a91e70-3ddc-11dd-9472-0050c2490048/v18 |
| ef:activity/change/20260822T0600486828500000/389843 | properties | ef:agent/normalise_property_values | ef:flow/08a91e70-3ddc-11dd-9472-0050c2490048/v18 | ef:flow/08a91e70-3ddc-11dd-9472-0050c2490048/v19 |
| ef:activity/change/20260822T0600486828500000/397191 | types | ef:agent/link_flows_to_their_substance | ef:flow/08a91e70-3ddc-11dd-9472-0050c2490048/v19 | ef:flow/08a91e70-3ddc-11dd-9472-0050c2490048/v20 |