2,3,4-trimethylpentane
Everything that changed this flow. Back to the flow
4d9a8790-3ddd-11dd-97cd-0050c2490048
By field
14 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 1 catalogue altLabel value(s): 'NSC 24846' (registry code) |
| cas_match_labels | 1 | consensus_match | group_key=2,3,4-trimethylpentane||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'565-75-3': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-42586e8ed6a5a1cf: {'565-75-3': '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 air, unspecified (long-term) |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified (long-term) |
| ec_numbers | 1 | ec_cross_check | Resolved from EC-inventory: 209-292-6 from CAS 565-75-3 |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| prefLabel | 1 | bootstrap_labels | Bootstrapped prefLabel from legacy name field |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['565-75-3']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_165735']; candidate_pubchem_cids=[11269]; selected_pubchem_cids=[11269]; 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 |
|---|---|---|---|---|---|
| 11,660 | bootstrap_labels | prefLabel | — | [{"@value":"2,3,4-trimethylpentane","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttrib… | Bootstrapped prefLabel from legacy name field |
| 11,661 | bootstrap_labels | name | 2,3,4-trimethylpentane | — | Purged legacy name field to enforce prefLabel usage |
| 11,662 | bootstrap_labels | synonyms | ["AC1L1WZT","Pentane, 2,3,4-trimethyl-","T0482"] | [] | Removed legacy synonyms field in favor of structured labels |
| 92,996 | 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) |
| 92,997 | 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) |
| 217,206 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 226,943 | ec_cross_check | ec_numbers | [] | ["209-292-6"] | Resolved from EC-inventory: 209-292-6 from CAS 565-75-3 |
| 238,281 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H18"],"a… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 238,282 | enrich_references | skos_definition | — | [{"@value":"An alkane that is pentane substituted by a methyl group at positions 2,3 and 4. It is a constituent of gaso… | Merged ChEBI/PubChem definitions into skos:definition |
| 238,283 | enrich_references | references | [] | [{"@id":"agr:IND43681583","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedTo":"c… | Added references with provenance; cas_numbers=['565-75-3']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_165735']; candidate_pubchem_cids=[11269]; selected_pubchem_cids=[11269]; 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 |
| 251,506 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H18"],"a… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H18"],"a… | rdkit_pre_consensus from 'CC(C)C(C)C(C)C'; added: monoisotopic_mass |
| 255,997 | chebi_altlabels | altLabel | [] | [{"@value":"2,3,4-TMP","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"conse… | Added 2 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 259,717 | consensus_match | altLabel | [{"@value":"2,3,4-TMP","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"conse… | [{"@value":"2,3,4-TMP","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"conse… | group_key=2,3,4-trimethylpentane||dimension=Environmental > media=Ground > geography=Agricultural; cas=565-75-3; added Common Chemistry CAS names as altLabel: 1,1-Diisopropylethane, NSC 24846, Pentane, 2,3,4-trimethyl-; object_uuid=fo-42586e8ed6a5a1cf |
| 259,718 | consensus_match | cas_match_labels | — | {"565-75-3":"exactMatch"} | group_key=2,3,4-trimethylpentane||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'565-75-3': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-42586e8ed6a5a1cf: {'565-75-3': 'exactMatch'} |
| 276,687 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H18"],"a… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H18"],"a… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '2,3,4-trimethylpentane' |
| 283,312 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H18"],"a… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H18"],"a… | rdkit_post_consensus from 'CC(C)C(C)C(C)C'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 289,652 | strip_catalogue_altlabels | altLabel | [{"@value":"2,3,4-TMP","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"conse… | [{"@value":"2,3,4-TMP","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"conse… | Removed 1 catalogue altLabel value(s): 'NSC 24846' (registry code) |
| 327,497 | 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 |
| 391,036 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H18"],"a… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H18"],"a… | typed the way the ontology types it |
| 398,901 | 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/20260821T0609040591070000/11660 | prefLabel | ef:agent/bootstrap_labels | ef:flow/4d9a8790-3ddd-11dd-97cd-0050c2490048/v0 | ef:flow/4d9a8790-3ddd-11dd-97cd-0050c2490048/v1 |
| ef:activity/change/20260821T0609040591070000/11661 | name | ef:agent/bootstrap_labels | ef:flow/4d9a8790-3ddd-11dd-97cd-0050c2490048/v1 | ef:flow/4d9a8790-3ddd-11dd-97cd-0050c2490048/v2 |
| ef:activity/change/20260821T0609040591070000/11662 | synonyms | ef:agent/bootstrap_labels | ef:flow/4d9a8790-3ddd-11dd-97cd-0050c2490048/v2 | ef:flow/4d9a8790-3ddd-11dd-97cd-0050c2490048/v3 |
| ef:activity/change/20260821T0609040591070000/92996 | context | ef:agent/default_context_mapping | ef:flow/4d9a8790-3ddd-11dd-97cd-0050c2490048/v3 | ef:flow/4d9a8790-3ddd-11dd-97cd-0050c2490048/v4 |
| ef:activity/change/20260821T0609040591070000/92997 | context_iri | ef:agent/default_context_mapping | ef:flow/4d9a8790-3ddd-11dd-97cd-0050c2490048/v4 | ef:flow/4d9a8790-3ddd-11dd-97cd-0050c2490048/v5 |
| ef:activity/change/20260821T0609040591070000/217206 | unit_iri | ef:agent/unit_normalization | ef:flow/4d9a8790-3ddd-11dd-97cd-0050c2490048/v5 | ef:flow/4d9a8790-3ddd-11dd-97cd-0050c2490048/v6 |
| ef:activity/change/20260821T0609040591070000/226943 | ec_numbers | ef:agent/ec_cross_check | ef:flow/4d9a8790-3ddd-11dd-97cd-0050c2490048/v6 | ef:flow/4d9a8790-3ddd-11dd-97cd-0050c2490048/v7 |
| ef:activity/change/20260821T0609040591070000/238281 | properties | ef:agent/enrich_references | ef:flow/4d9a8790-3ddd-11dd-97cd-0050c2490048/v7 | ef:flow/4d9a8790-3ddd-11dd-97cd-0050c2490048/v8 |
| ef:activity/change/20260821T0609040591070000/238282 | skos_definition | ef:agent/enrich_references | ef:flow/4d9a8790-3ddd-11dd-97cd-0050c2490048/v8 | ef:flow/4d9a8790-3ddd-11dd-97cd-0050c2490048/v9 |
| ef:activity/change/20260821T0609040591070000/238283 | references | ef:agent/enrich_references | ef:flow/4d9a8790-3ddd-11dd-97cd-0050c2490048/v9 | ef:flow/4d9a8790-3ddd-11dd-97cd-0050c2490048/v10 |
| ef:activity/change/20260821T0609040591070000/251506 | properties | ef:agent/rdkit_pre_consensus | ef:flow/4d9a8790-3ddd-11dd-97cd-0050c2490048/v10 | ef:flow/4d9a8790-3ddd-11dd-97cd-0050c2490048/v11 |
| ef:activity/change/20260821T0609040591070000/255997 | altLabel | ef:agent/chebi_altlabels | ef:flow/4d9a8790-3ddd-11dd-97cd-0050c2490048/v11 | ef:flow/4d9a8790-3ddd-11dd-97cd-0050c2490048/v12 |
| ef:activity/change/20260821T0609040591070000/259717 | altLabel | ef:agent/consensus_match | ef:flow/4d9a8790-3ddd-11dd-97cd-0050c2490048/v12 | ef:flow/4d9a8790-3ddd-11dd-97cd-0050c2490048/v13 |
| ef:activity/change/20260821T0609040591070000/259718 | cas_match_labels | ef:agent/consensus_match | ef:flow/4d9a8790-3ddd-11dd-97cd-0050c2490048/v13 | ef:flow/4d9a8790-3ddd-11dd-97cd-0050c2490048/v14 |
| ef:activity/change/20260821T0609040591070000/276687 | properties | ef:agent/opsin_iupac | ef:flow/4d9a8790-3ddd-11dd-97cd-0050c2490048/v14 | ef:flow/4d9a8790-3ddd-11dd-97cd-0050c2490048/v15 |
| ef:activity/change/20260821T0609040591070000/283312 | properties | ef:agent/rdkit_post_consensus | ef:flow/4d9a8790-3ddd-11dd-97cd-0050c2490048/v15 | ef:flow/4d9a8790-3ddd-11dd-97cd-0050c2490048/v16 |
| ef:activity/change/20260821T0609040591070000/289652 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/4d9a8790-3ddd-11dd-97cd-0050c2490048/v16 | ef:flow/4d9a8790-3ddd-11dd-97cd-0050c2490048/v17 |
| ef:activity/change/20260821T0609040591070000/327497 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/4d9a8790-3ddd-11dd-97cd-0050c2490048/v17 | ef:flow/4d9a8790-3ddd-11dd-97cd-0050c2490048/v18 |
| ef:activity/change/20260821T0609040591070000/391036 | properties | ef:agent/normalise_property_values | ef:flow/4d9a8790-3ddd-11dd-97cd-0050c2490048/v18 | ef:flow/4d9a8790-3ddd-11dd-97cd-0050c2490048/v19 |
| ef:activity/change/20260821T0609040591070000/398901 | types | ef:agent/link_flows_to_their_substance | ef:flow/4d9a8790-3ddd-11dd-97cd-0050c2490048/v19 | ef:flow/4d9a8790-3ddd-11dd-97cd-0050c2490048/v20 |