Heptanoic Acid
Everything that changed this flow. Back to the flow
a85fd6d5-8ae3-4ddd-9b19-62cc5e4341ea
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 1 catalogue altLabel value(s): 'NSC 2192' (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=heptanoicacid||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'111-14-8': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-99796020f3ba73a3: {'111-14-8': '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 fresh water |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to fresh water |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['111-14-8']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_45571']; candidate_pubchem_cids=[8094, 93052, 87073023]; selected_pubchem_cids=[8094]; 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 |
|---|---|---|---|---|---|
| 21,348 | bootstrap_labels | prefLabel | — | [{"@value":"heptanoic acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":… | Bootstrapped prefLabel from legacy name field |
| 21,349 | bootstrap_labels | name | heptanoic acid | — | Purged legacy name field to enforce prefLabel usage |
| 21,350 | bootstrap_labels | synonyms | ["1-Hexanecarboxylic acid","AC1L1Q92","AC1Q2VTO","AKOS000119950","Enanthic acid","Enanthylic acid","H0030","HEPTANOIC A… | [] | Removed legacy synonyms field in favor of structured labels |
| 149,962 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Surface water"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to fresh water |
| 149,963 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-suwa | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to fresh water |
| 220,198 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 225,926 | normalize_name_case | prefLabel | [{"@value":"heptanoic acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":… | [{"@value":"Heptanoic 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) |
| 246,722 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H14O2"],… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 246,723 | enrich_references | skos_definition | — | [{"@value":"A C7, straight-chain fatty acid that contributes to the odour of some rancid oils. Used in the preparation… | Merged ChEBI/PubChem definitions into skos:definition |
| 246,724 | enrich_references | references | [] | [{"@id":"beilstein:1744723","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedTo":… | Added references with provenance; cas_numbers=['111-14-8']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_45571']; candidate_pubchem_cids=[8094, 93052, 87073023]; selected_pubchem_cids=[8094]; 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 |
| 257,078 | chebi_altlabels | altLabel | [] | [{"@value":"CH3-[CH2]5-COOH","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":… | Added 12 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 267,577 | consensus_match | altLabel | [{"@value":"CH3-[CH2]5-COOH","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":… | [{"@value":"CH3-[CH2]5-COOH","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":… | group_key=heptanoicacid||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=111-14-8; added Common Chemistry CAS names as altLabel: 1-Hexanecarboxylic acid, Enanthoic acid, NSC 2192; object_uuid=fo-99796020f3ba73a3 |
| 267,578 | consensus_match | cas_match_labels | — | {"111-14-8":"exactMatch"} | group_key=heptanoicacid||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'111-14-8': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-99796020f3ba73a3: {'111-14-8': 'exactMatch'} |
| 279,148 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H14O2"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H14O2"],… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Heptanoic Acid' |
| 286,002 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H14O2"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H14O2"],… | rdkit_post_consensus from 'CCCCCCC(=O)O'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 291,449 | strip_catalogue_altlabels | altLabel | [{"@value":"CH3-[CH2]5-COOH","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":… | [{"@value":"CH3-[CH2]5-COOH","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":… | Removed 1 catalogue altLabel value(s): 'NSC 2192' (registry code) |
| 356,003 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/a85fd6d5-8ae3-… | associations resolved on the elementary layer |
| 393,537 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H14O2"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H14O2"],… | typed the way the ontology types it |
| 402,573 | 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/20260822T0600486828500000/21348 | prefLabel | ef:agent/bootstrap_labels | ef:flow/a85fd6d5-8ae3-4ddd-9b19-62cc5e4341ea/v0 | ef:flow/a85fd6d5-8ae3-4ddd-9b19-62cc5e4341ea/v1 |
| ef:activity/change/20260822T0600486828500000/21349 | name | ef:agent/bootstrap_labels | ef:flow/a85fd6d5-8ae3-4ddd-9b19-62cc5e4341ea/v1 | ef:flow/a85fd6d5-8ae3-4ddd-9b19-62cc5e4341ea/v2 |
| ef:activity/change/20260822T0600486828500000/21350 | synonyms | ef:agent/bootstrap_labels | ef:flow/a85fd6d5-8ae3-4ddd-9b19-62cc5e4341ea/v2 | ef:flow/a85fd6d5-8ae3-4ddd-9b19-62cc5e4341ea/v3 |
| ef:activity/change/20260822T0600486828500000/149962 | context | ef:agent/default_context_mapping | ef:flow/a85fd6d5-8ae3-4ddd-9b19-62cc5e4341ea/v3 | ef:flow/a85fd6d5-8ae3-4ddd-9b19-62cc5e4341ea/v4 |
| ef:activity/change/20260822T0600486828500000/149963 | context_iri | ef:agent/default_context_mapping | ef:flow/a85fd6d5-8ae3-4ddd-9b19-62cc5e4341ea/v4 | ef:flow/a85fd6d5-8ae3-4ddd-9b19-62cc5e4341ea/v5 |
| ef:activity/change/20260822T0600486828500000/220198 | unit_iri | ef:agent/unit_normalization | ef:flow/a85fd6d5-8ae3-4ddd-9b19-62cc5e4341ea/v5 | ef:flow/a85fd6d5-8ae3-4ddd-9b19-62cc5e4341ea/v6 |
| ef:activity/change/20260822T0600486828500000/225926 | prefLabel | ef:agent/normalize_name_case | ef:flow/a85fd6d5-8ae3-4ddd-9b19-62cc5e4341ea/v6 | ef:flow/a85fd6d5-8ae3-4ddd-9b19-62cc5e4341ea/v7 |
| ef:activity/change/20260822T0600486828500000/246722 | properties | ef:agent/enrich_references | ef:flow/a85fd6d5-8ae3-4ddd-9b19-62cc5e4341ea/v7 | ef:flow/a85fd6d5-8ae3-4ddd-9b19-62cc5e4341ea/v8 |
| ef:activity/change/20260822T0600486828500000/246723 | skos_definition | ef:agent/enrich_references | ef:flow/a85fd6d5-8ae3-4ddd-9b19-62cc5e4341ea/v8 | ef:flow/a85fd6d5-8ae3-4ddd-9b19-62cc5e4341ea/v9 |
| ef:activity/change/20260822T0600486828500000/246724 | references | ef:agent/enrich_references | ef:flow/a85fd6d5-8ae3-4ddd-9b19-62cc5e4341ea/v9 | ef:flow/a85fd6d5-8ae3-4ddd-9b19-62cc5e4341ea/v10 |
| ef:activity/change/20260822T0600486828500000/257078 | altLabel | ef:agent/chebi_altlabels | ef:flow/a85fd6d5-8ae3-4ddd-9b19-62cc5e4341ea/v10 | ef:flow/a85fd6d5-8ae3-4ddd-9b19-62cc5e4341ea/v11 |
| ef:activity/change/20260822T0600486828500000/267577 | altLabel | ef:agent/consensus_match | ef:flow/a85fd6d5-8ae3-4ddd-9b19-62cc5e4341ea/v11 | ef:flow/a85fd6d5-8ae3-4ddd-9b19-62cc5e4341ea/v12 |
| ef:activity/change/20260822T0600486828500000/267578 | cas_match_labels | ef:agent/consensus_match | ef:flow/a85fd6d5-8ae3-4ddd-9b19-62cc5e4341ea/v12 | ef:flow/a85fd6d5-8ae3-4ddd-9b19-62cc5e4341ea/v13 |
| ef:activity/change/20260822T0600486828500000/279148 | properties | ef:agent/opsin_iupac | ef:flow/a85fd6d5-8ae3-4ddd-9b19-62cc5e4341ea/v13 | ef:flow/a85fd6d5-8ae3-4ddd-9b19-62cc5e4341ea/v14 |
| ef:activity/change/20260822T0600486828500000/286002 | properties | ef:agent/rdkit_post_consensus | ef:flow/a85fd6d5-8ae3-4ddd-9b19-62cc5e4341ea/v14 | ef:flow/a85fd6d5-8ae3-4ddd-9b19-62cc5e4341ea/v15 |
| ef:activity/change/20260822T0600486828500000/291449 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/a85fd6d5-8ae3-4ddd-9b19-62cc5e4341ea/v15 | ef:flow/a85fd6d5-8ae3-4ddd-9b19-62cc5e4341ea/v16 |
| ef:activity/change/20260822T0600486828500000/356003 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/a85fd6d5-8ae3-4ddd-9b19-62cc5e4341ea/v16 | ef:flow/a85fd6d5-8ae3-4ddd-9b19-62cc5e4341ea/v17 |
| ef:activity/change/20260822T0600486828500000/393537 | properties | ef:agent/normalise_property_values | ef:flow/a85fd6d5-8ae3-4ddd-9b19-62cc5e4341ea/v17 | ef:flow/a85fd6d5-8ae3-4ddd-9b19-62cc5e4341ea/v18 |
| ef:activity/change/20260822T0600486828500000/402573 | types | ef:agent/link_flows_to_their_substance | ef:flow/a85fd6d5-8ae3-4ddd-9b19-62cc5e4341ea/v18 | ef:flow/a85fd6d5-8ae3-4ddd-9b19-62cc5e4341ea/v19 |