Hexanoic Acid
Everything that changed this flow. Back to the flow
54771592-07df-4583-9935-bde4cbb002fd
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 3 catalogue altLabel value(s): 'NAA 60' (grade code), 'NSC 35598' (registry code), 'NSC 8266' (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=hexanoicacid||dimension=Environmental > media=Air > strata=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'142-62-1': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-04fb3940a1007b35: {'142-62-1': '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 soil > Emissions to non-agricultural soil |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to non-agricultural soil |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['142-62-1']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_30776']; candidate_pubchem_cids=[8892, 4398339, 23616664]; selected_pubchem_cids=[8892]; 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 |
|---|---|---|---|---|---|
| 10,846 | bootstrap_labels | prefLabel | — | [{"@value":"hexanoic acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"… | Bootstrapped prefLabel from legacy name field |
| 10,847 | bootstrap_labels | name | hexanoic acid | — | Purged legacy name field to enforce prefLabel usage |
| 10,848 | bootstrap_labels | synonyms | ["(C5-C9) Monobasic acids","(C6-C12) Alkylcarboxylic acid","(C6-C12)Alkylcarboxylic acid","1-Hexanoic acid","1-Pentanec… | [] | Removed legacy synonyms field in favor of structured labels |
| 100,064 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Ground","geography":"Non-agricultural"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to non-agricultural soil |
| 100,065 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-grou-noag | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to non-agricultural soil |
| 216,936 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 223,626 | normalize_name_case | prefLabel | [{"@value":"hexanoic acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"… | [{"@value":"Hexanoic Acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 237,501 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H12O2"],… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 237,502 | enrich_references | skos_definition | — | [{"@value":"A C6, straight-chain saturated fatty acid.","@language":"en","provenance":{"prov:wasGeneratedBy":"enrich_re… | Merged ChEBI/PubChem definitions into skos:definition |
| 237,503 | enrich_references | references | [] | [{"@id":"ecmdb:ECMDB21229","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedTo":"… | Added references with provenance; cas_numbers=['142-62-1']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_30776']; candidate_pubchem_cids=[8892, 4398339, 23616664]; selected_pubchem_cids=[8892]; 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 |
| 255,908 | chebi_altlabels | altLabel | [] | [{"@value":"1-hexanoic acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":… | Added 18 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 267,699 | consensus_match | altLabel | [{"@value":"1-hexanoic acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":… | [{"@value":"1-hexanoic acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":… | group_key=hexanoicacid||dimension=Environmental > media=Air > strata=Unknown; cas=142-62-1; added Common Chemistry CAS names as altLabel: NAA 60, NSC 35598, NSC 8266; object_uuid=fo-04fb3940a1007b35 |
| 267,700 | consensus_match | cas_match_labels | — | {"142-62-1":"exactMatch"} | group_key=hexanoicacid||dimension=Environmental > media=Air > strata=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'142-62-1': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-04fb3940a1007b35: {'142-62-1': 'exactMatch'} |
| 276,464 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H12O2"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H12O2"],… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Hexanoic Acid' |
| 283,070 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H12O2"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H12O2"],… | rdkit_post_consensus from 'CCCCCC(=O)O'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 289,511 | strip_catalogue_altlabels | altLabel | [{"@value":"1-hexanoic acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":… | [{"@value":"1-hexanoic acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":… | Removed 3 catalogue altLabel value(s): 'NAA 60' (grade code), 'NSC 35598' (registry code), 'NSC 8266' (registry code) |
| 331,029 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/54771592-07df-… | associations resolved on the elementary layer |
| 390,819 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H12O2"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H12O2"],… | typed the way the ontology types it |
| 398,600 | 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/20260822T0600486828500000/10846 | prefLabel | ef:agent/bootstrap_labels | ef:flow/54771592-07df-4583-9935-bde4cbb002fd/v0 | ef:flow/54771592-07df-4583-9935-bde4cbb002fd/v1 |
| ef:activity/change/20260822T0600486828500000/10847 | name | ef:agent/bootstrap_labels | ef:flow/54771592-07df-4583-9935-bde4cbb002fd/v1 | ef:flow/54771592-07df-4583-9935-bde4cbb002fd/v2 |
| ef:activity/change/20260822T0600486828500000/10848 | synonyms | ef:agent/bootstrap_labels | ef:flow/54771592-07df-4583-9935-bde4cbb002fd/v2 | ef:flow/54771592-07df-4583-9935-bde4cbb002fd/v3 |
| ef:activity/change/20260822T0600486828500000/100064 | context | ef:agent/default_context_mapping | ef:flow/54771592-07df-4583-9935-bde4cbb002fd/v3 | ef:flow/54771592-07df-4583-9935-bde4cbb002fd/v4 |
| ef:activity/change/20260822T0600486828500000/100065 | context_iri | ef:agent/default_context_mapping | ef:flow/54771592-07df-4583-9935-bde4cbb002fd/v4 | ef:flow/54771592-07df-4583-9935-bde4cbb002fd/v5 |
| ef:activity/change/20260822T0600486828500000/216936 | unit_iri | ef:agent/unit_normalization | ef:flow/54771592-07df-4583-9935-bde4cbb002fd/v5 | ef:flow/54771592-07df-4583-9935-bde4cbb002fd/v6 |
| ef:activity/change/20260822T0600486828500000/223626 | prefLabel | ef:agent/normalize_name_case | ef:flow/54771592-07df-4583-9935-bde4cbb002fd/v6 | ef:flow/54771592-07df-4583-9935-bde4cbb002fd/v7 |
| ef:activity/change/20260822T0600486828500000/237501 | properties | ef:agent/enrich_references | ef:flow/54771592-07df-4583-9935-bde4cbb002fd/v7 | ef:flow/54771592-07df-4583-9935-bde4cbb002fd/v8 |
| ef:activity/change/20260822T0600486828500000/237502 | skos_definition | ef:agent/enrich_references | ef:flow/54771592-07df-4583-9935-bde4cbb002fd/v8 | ef:flow/54771592-07df-4583-9935-bde4cbb002fd/v9 |
| ef:activity/change/20260822T0600486828500000/237503 | references | ef:agent/enrich_references | ef:flow/54771592-07df-4583-9935-bde4cbb002fd/v9 | ef:flow/54771592-07df-4583-9935-bde4cbb002fd/v10 |
| ef:activity/change/20260822T0600486828500000/255908 | altLabel | ef:agent/chebi_altlabels | ef:flow/54771592-07df-4583-9935-bde4cbb002fd/v10 | ef:flow/54771592-07df-4583-9935-bde4cbb002fd/v11 |
| ef:activity/change/20260822T0600486828500000/267699 | altLabel | ef:agent/consensus_match | ef:flow/54771592-07df-4583-9935-bde4cbb002fd/v11 | ef:flow/54771592-07df-4583-9935-bde4cbb002fd/v12 |
| ef:activity/change/20260822T0600486828500000/267700 | cas_match_labels | ef:agent/consensus_match | ef:flow/54771592-07df-4583-9935-bde4cbb002fd/v12 | ef:flow/54771592-07df-4583-9935-bde4cbb002fd/v13 |
| ef:activity/change/20260822T0600486828500000/276464 | properties | ef:agent/opsin_iupac | ef:flow/54771592-07df-4583-9935-bde4cbb002fd/v13 | ef:flow/54771592-07df-4583-9935-bde4cbb002fd/v14 |
| ef:activity/change/20260822T0600486828500000/283070 | properties | ef:agent/rdkit_post_consensus | ef:flow/54771592-07df-4583-9935-bde4cbb002fd/v14 | ef:flow/54771592-07df-4583-9935-bde4cbb002fd/v15 |
| ef:activity/change/20260822T0600486828500000/289511 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/54771592-07df-4583-9935-bde4cbb002fd/v15 | ef:flow/54771592-07df-4583-9935-bde4cbb002fd/v16 |
| ef:activity/change/20260822T0600486828500000/331029 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/54771592-07df-4583-9935-bde4cbb002fd/v16 | ef:flow/54771592-07df-4583-9935-bde4cbb002fd/v17 |
| ef:activity/change/20260822T0600486828500000/390819 | properties | ef:agent/normalise_property_values | ef:flow/54771592-07df-4583-9935-bde4cbb002fd/v17 | ef:flow/54771592-07df-4583-9935-bde4cbb002fd/v18 |
| ef:activity/change/20260822T0600486828500000/398600 | types | ef:agent/link_flows_to_their_substance | ef:flow/54771592-07df-4583-9935-bde4cbb002fd/v18 | ef:flow/54771592-07df-4583-9935-bde4cbb002fd/v19 |