Neopentane
Everything that changed this flow. Back to the flow
0d79c5b6-6556-11dd-ad8b-0800200c9a66
By field
14 fields| Field | Changes | Written by | Latest note |
|---|---|---|---|
| altLabel | 4 | chebi_altlabels, consensus_match, dedupe_altlabels | Deduplicated altLabel values and removed entries matching prefLabel |
| properties | 4 | enrich_references, normalise_property_values, opsin_iupac, rdkit_post_consensus | typed the way the ontology types it |
| prefLabel | 2 | bootstrap_labels, consensus_match | cas=463-82-1; cc_chebi_agreed_name='Neopentane'; object_uuid=fo-960f661e50cc7b82 |
| cas_match_labels | 1 | consensus_match | group_key=2,2-dimethylpropane||dimension=Environmental > media=Air > strata=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'463-82-1': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-960f661e50cc7b82: {'463-82-1': '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 lower stratosphere and upper troposphere |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to lower stratosphere and upper troposphere |
| ec_numbers | 1 | ec_cross_check | Resolved from EC-inventory: 207-343-7 from CAS 463-82-1 |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['463-82-1']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_30358']; candidate_pubchem_cids=[10041]; selected_pubchem_cids=[10041]; 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
21| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 7,980 | bootstrap_labels | prefLabel | — | [{"@value":"2,2-dimethylpropane","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttribute… | Bootstrapped prefLabel from legacy name field |
| 7,981 | bootstrap_labels | name | 2,2-dimethylpropane | — | Purged legacy name field to enforce prefLabel usage |
| 7,982 | bootstrap_labels | synonyms | ["(CH3)4C","1,1,1-Trimethylethane","AC1L1UDE","NEOPENTANE","Propane, 2,2-dimethyl-","Tetramethylmethane","tert-Pentane"] | [] | Removed legacy synonyms field in favor of structured labels |
| 44,792 | 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 |
| 44,793 | 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 |
| 216,001 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 226,868 | ec_cross_check | ec_numbers | [] | ["207-343-7"] | Resolved from EC-inventory: 207-343-7 from CAS 463-82-1 |
| 234,808 | 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) |
| 234,809 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 234,810 | enrich_references | references | [] | [{"@id":"beilstein:1730722","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedTo":… | Added references with provenance; cas_numbers=['463-82-1']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_30358']; candidate_pubchem_cids=[10041]; selected_pubchem_cids=[10041]; 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 |
| 255,480 | chebi_altlabels | altLabel | [] | [{"@value":"(CH3)4C","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consens… | Added 2 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 259,664 | consensus_match | prefLabel | [{"@value":"2,2-dimethylpropane","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttribute… | [{"@value":"Neopentane","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"cons… | cas=463-82-1; cc_chebi_agreed_name='Neopentane'; object_uuid=fo-960f661e50cc7b82 |
| 259,665 | consensus_match | altLabel | [{"@value":"(CH3)4C","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consens… | [{"@value":"(CH3)4C","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consens… | cas=463-82-1; added original name as altLabel after CC/ChEBI rename; object_uuid=fo-960f661e50cc7b82 |
| 259,666 | consensus_match | altLabel | [{"@value":"(CH3)4C","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consens… | [{"@value":"(CH3)4C","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consens… | group_key=2,2-dimethylpropane||dimension=Environmental > media=Air > strata=Unknown; cas=463-82-1; added Common Chemistry CAS names as altLabel: 1,1,1-Trimethylethane, <em>tert</em>-Pentane, Propane, 2,2-dimethyl-, Tetramethylmethane; object_uuid=fo-960f661e50cc7b82 |
| 259,667 | consensus_match | cas_match_labels | — | {"463-82-1":"exactMatch"} | group_key=2,2-dimethylpropane||dimension=Environmental > media=Air > strata=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'463-82-1': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-960f661e50cc7b82: {'463-82-1': 'exactMatch'} |
| 275,671 | 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 'Neopentane' |
| 282,215 | 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 'CC(C)(C)C'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 292,383 | dedupe_altlabels | altLabel | [{"@value":"(CH3)4C","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consens… | [{"@value":"(CH3)4C","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consens… | Deduplicated altLabel values and removed entries matching prefLabel |
| 303,422 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/0d79c5b6-6556-… | associations resolved on the elementary layer |
| 390,003 | 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 |
| 397,432 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
PROV-O trail
21 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/20260821T1554374006150000/7980 | prefLabel | ef:agent/bootstrap_labels | ef:flow/0d79c5b6-6556-11dd-ad8b-0800200c9a66/v0 | ef:flow/0d79c5b6-6556-11dd-ad8b-0800200c9a66/v1 |
| ef:activity/change/20260821T1554374006150000/7981 | name | ef:agent/bootstrap_labels | ef:flow/0d79c5b6-6556-11dd-ad8b-0800200c9a66/v1 | ef:flow/0d79c5b6-6556-11dd-ad8b-0800200c9a66/v2 |
| ef:activity/change/20260821T1554374006150000/7982 | synonyms | ef:agent/bootstrap_labels | ef:flow/0d79c5b6-6556-11dd-ad8b-0800200c9a66/v2 | ef:flow/0d79c5b6-6556-11dd-ad8b-0800200c9a66/v3 |
| ef:activity/change/20260821T1554374006150000/44792 | context | ef:agent/default_context_mapping | ef:flow/0d79c5b6-6556-11dd-ad8b-0800200c9a66/v3 | ef:flow/0d79c5b6-6556-11dd-ad8b-0800200c9a66/v4 |
| ef:activity/change/20260821T1554374006150000/44793 | context_iri | ef:agent/default_context_mapping | ef:flow/0d79c5b6-6556-11dd-ad8b-0800200c9a66/v4 | ef:flow/0d79c5b6-6556-11dd-ad8b-0800200c9a66/v5 |
| ef:activity/change/20260821T1554374006150000/216001 | unit_iri | ef:agent/unit_normalization | ef:flow/0d79c5b6-6556-11dd-ad8b-0800200c9a66/v5 | ef:flow/0d79c5b6-6556-11dd-ad8b-0800200c9a66/v6 |
| ef:activity/change/20260821T1554374006150000/226868 | ec_numbers | ef:agent/ec_cross_check | ef:flow/0d79c5b6-6556-11dd-ad8b-0800200c9a66/v6 | ef:flow/0d79c5b6-6556-11dd-ad8b-0800200c9a66/v7 |
| ef:activity/change/20260821T1554374006150000/234808 | properties | ef:agent/enrich_references | ef:flow/0d79c5b6-6556-11dd-ad8b-0800200c9a66/v7 | ef:flow/0d79c5b6-6556-11dd-ad8b-0800200c9a66/v8 |
| ef:activity/change/20260821T1554374006150000/234809 | skos_definition | ef:agent/enrich_references | ef:flow/0d79c5b6-6556-11dd-ad8b-0800200c9a66/v8 | ef:flow/0d79c5b6-6556-11dd-ad8b-0800200c9a66/v9 |
| ef:activity/change/20260821T1554374006150000/234810 | references | ef:agent/enrich_references | ef:flow/0d79c5b6-6556-11dd-ad8b-0800200c9a66/v9 | ef:flow/0d79c5b6-6556-11dd-ad8b-0800200c9a66/v10 |
| ef:activity/change/20260821T1554374006150000/255480 | altLabel | ef:agent/chebi_altlabels | ef:flow/0d79c5b6-6556-11dd-ad8b-0800200c9a66/v10 | ef:flow/0d79c5b6-6556-11dd-ad8b-0800200c9a66/v11 |
| ef:activity/change/20260821T1554374006150000/259664 | prefLabel | ef:agent/consensus_match | ef:flow/0d79c5b6-6556-11dd-ad8b-0800200c9a66/v11 | ef:flow/0d79c5b6-6556-11dd-ad8b-0800200c9a66/v12 |
| ef:activity/change/20260821T1554374006150000/259665 | altLabel | ef:agent/consensus_match | ef:flow/0d79c5b6-6556-11dd-ad8b-0800200c9a66/v12 | ef:flow/0d79c5b6-6556-11dd-ad8b-0800200c9a66/v13 |
| ef:activity/change/20260821T1554374006150000/259666 | altLabel | ef:agent/consensus_match | ef:flow/0d79c5b6-6556-11dd-ad8b-0800200c9a66/v13 | ef:flow/0d79c5b6-6556-11dd-ad8b-0800200c9a66/v14 |
| ef:activity/change/20260821T1554374006150000/259667 | cas_match_labels | ef:agent/consensus_match | ef:flow/0d79c5b6-6556-11dd-ad8b-0800200c9a66/v14 | ef:flow/0d79c5b6-6556-11dd-ad8b-0800200c9a66/v15 |
| ef:activity/change/20260821T1554374006150000/275671 | properties | ef:agent/opsin_iupac | ef:flow/0d79c5b6-6556-11dd-ad8b-0800200c9a66/v15 | ef:flow/0d79c5b6-6556-11dd-ad8b-0800200c9a66/v16 |
| ef:activity/change/20260821T1554374006150000/282215 | properties | ef:agent/rdkit_post_consensus | ef:flow/0d79c5b6-6556-11dd-ad8b-0800200c9a66/v16 | ef:flow/0d79c5b6-6556-11dd-ad8b-0800200c9a66/v17 |
| ef:activity/change/20260821T1554374006150000/292383 | altLabel | ef:agent/dedupe_altlabels | ef:flow/0d79c5b6-6556-11dd-ad8b-0800200c9a66/v17 | ef:flow/0d79c5b6-6556-11dd-ad8b-0800200c9a66/v18 |
| ef:activity/change/20260821T1554374006150000/303422 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/0d79c5b6-6556-11dd-ad8b-0800200c9a66/v18 | ef:flow/0d79c5b6-6556-11dd-ad8b-0800200c9a66/v19 |
| ef:activity/change/20260821T1554374006150000/390003 | properties | ef:agent/normalise_property_values | ef:flow/0d79c5b6-6556-11dd-ad8b-0800200c9a66/v19 | ef:flow/0d79c5b6-6556-11dd-ad8b-0800200c9a66/v20 |
| ef:activity/change/20260821T1554374006150000/397432 | types | ef:agent/link_flows_to_their_substance | ef:flow/0d79c5b6-6556-11dd-ad8b-0800200c9a66/v20 | ef:flow/0d79c5b6-6556-11dd-ad8b-0800200c9a66/v21 |