Valproic acid
Everything that changed this flow. Back to the flow
01910d1f-6b12-49b1-83ea-27096464b1b1
By field
13 fields| Field | Changes | Written by | Latest note |
|---|---|---|---|
| altLabel | 4 | chebi_altlabels, consensus_match, strip_catalogue_altlabels | Removed 2 catalogue altLabel value(s): 'CS 01 (pharmaceutical)' (grade code), 'NSC 93819' (registry code) |
| properties | 4 | enrich_references, normalise_property_values, opsin_iupac, rdkit_post_consensus | typed the way the ontology types it |
| prefLabel | 3 | bootstrap_labels, consensus_match, normalize_name_case | cas=99-66-1; cc_chebi_agreed_name='Valproic acid'; object_uuid=fo-e5a63348d85d7d76 |
| cas_match_labels | 1 | consensus_match | group_key=2-propylvalericacid||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'99-66-1': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-e5a63348d85d7d76: {'99-66-1': '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 soil, unspecified |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to soil, unspecified |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['99-66-1']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_39867']; candidate_pubchem_cids=[3121, 70326, 3549980, 5281884, 73012615, 137957813]; selected_pubchem_cids=[3121]; 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 |
|---|---|---|---|---|---|
| 1,337 | bootstrap_labels | prefLabel | — | [{"@value":"2-propylvaleric acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttribut… | Bootstrapped prefLabel from legacy name field |
| 1,338 | bootstrap_labels | name | 2-propylvaleric acid | — | Purged legacy name field to enforce prefLabel usage |
| 1,339 | bootstrap_labels | synonyms | ["2 PP (base)","2-Propylpentanoic acid","2-n-Propyl-n-valeric acid","4-Heptanecarboxylic acid","AC1L1F7T","AC1Q2ULA","A… | [] | Removed legacy synonyms field in favor of structured labels |
| 26,830 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Ground","geography":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to soil, unspecified |
| 26,831 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-grou-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to soil, unspecified |
| 213,787 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 221,405 | normalize_name_case | prefLabel | [{"@value":"2-propylvaleric acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttribut… | [{"@value":"2-propylvaleric Acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttribut… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 228,469 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H16O2"],… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 228,470 | enrich_references | skos_definition | — | [{"@value":"A branched-chain saturated fatty acid that comprises of a propyl substituent on a pentanoic acid stem.","@l… | Merged ChEBI/PubChem definitions into skos:definition |
| 228,471 | enrich_references | references | [] | [{"@id":"beilstein:1750447","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedTo":… | Added references with provenance; cas_numbers=['99-66-1']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_39867']; candidate_pubchem_cids=[3121, 70326, 3549980, 5281884, 73012615, 137957813]; selected_pubchem_cids=[3121]; 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 |
| 254,542 | chebi_altlabels | altLabel | [] | [{"@value":"2-PROPYL-PENTANOIC ACID","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttrib… | Added 17 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 261,339 | consensus_match | prefLabel | [{"@value":"2-propylvaleric Acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttribut… | [{"@value":"Valproic acid","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"c… | cas=99-66-1; cc_chebi_agreed_name='Valproic acid'; object_uuid=fo-e5a63348d85d7d76 |
| 261,340 | consensus_match | altLabel | [{"@value":"2-PROPYL-PENTANOIC ACID","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttrib… | [{"@value":"2-PROPYL-PENTANOIC ACID","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttrib… | cas=99-66-1; added original name as altLabel after CC/ChEBI rename; object_uuid=fo-e5a63348d85d7d76 |
| 261,341 | consensus_match | altLabel | [{"@value":"2-PROPYL-PENTANOIC ACID","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttrib… | [{"@value":"2-PROPYL-PENTANOIC ACID","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttrib… | group_key=2-propylvalericacid||dimension=Environmental > media=Ground > geography=Unknown; cas=99-66-1; added Common Chemistry CAS names as altLabel: 2,2-Di-<em>n</em>-propylacetic acid, 44089, <em>n</em>-Dipropylacetic acid, Acetic acid, dipropyl-, CS 01 (pharmaceutical), Depakine, Depakine-chrono, Ergenyl, MeSH ID: D014635, Mylproin, NSC 93819, Pentanoic acid, 2-propyl-, Sigma V 0033000, Stavzor, Valcote, Valeric acid, 2-propyl-; object_uuid=fo-e5a63348d85d7d76 |
| 261,342 | consensus_match | cas_match_labels | — | {"99-66-1":"exactMatch"} | group_key=2-propylvalericacid||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'99-66-1': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-e5a63348d85d7d76: {'99-66-1': 'exactMatch'} |
| 273,831 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H16O2"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H16O2"],… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Valproic acid' |
| 280,215 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H16O2"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H16O2"],… | rdkit_post_consensus from 'CCCC(CCC)C(=O)O'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 287,546 | strip_catalogue_altlabels | altLabel | [{"@value":"2-PROPYL-PENTANOIC ACID","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttrib… | [{"@value":"2-PROPYL-PENTANOIC ACID","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttrib… | Removed 2 catalogue altLabel value(s): 'CS 01 (pharmaceutical)' (grade code), 'NSC 93819' (registry code) |
| 294,481 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/01910d1f-6b12-… | associations resolved on the elementary layer |
| 388,116 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H16O2"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H16O2"],… | typed the way the ontology types it |
| 394,717 | 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/20260820T1555490862250000/1337 | prefLabel | ef:agent/bootstrap_labels | ef:flow/01910d1f-6b12-49b1-83ea-27096464b1b1/v0 | ef:flow/01910d1f-6b12-49b1-83ea-27096464b1b1/v1 |
| ef:activity/change/20260820T1555490862250000/1338 | name | ef:agent/bootstrap_labels | ef:flow/01910d1f-6b12-49b1-83ea-27096464b1b1/v1 | ef:flow/01910d1f-6b12-49b1-83ea-27096464b1b1/v2 |
| ef:activity/change/20260820T1555490862250000/1339 | synonyms | ef:agent/bootstrap_labels | ef:flow/01910d1f-6b12-49b1-83ea-27096464b1b1/v2 | ef:flow/01910d1f-6b12-49b1-83ea-27096464b1b1/v3 |
| ef:activity/change/20260820T1555490862250000/26830 | context | ef:agent/default_context_mapping | ef:flow/01910d1f-6b12-49b1-83ea-27096464b1b1/v3 | ef:flow/01910d1f-6b12-49b1-83ea-27096464b1b1/v4 |
| ef:activity/change/20260820T1555490862250000/26831 | context_iri | ef:agent/default_context_mapping | ef:flow/01910d1f-6b12-49b1-83ea-27096464b1b1/v4 | ef:flow/01910d1f-6b12-49b1-83ea-27096464b1b1/v5 |
| ef:activity/change/20260820T1555490862250000/213787 | unit_iri | ef:agent/unit_normalization | ef:flow/01910d1f-6b12-49b1-83ea-27096464b1b1/v5 | ef:flow/01910d1f-6b12-49b1-83ea-27096464b1b1/v6 |
| ef:activity/change/20260820T1555490862250000/221405 | prefLabel | ef:agent/normalize_name_case | ef:flow/01910d1f-6b12-49b1-83ea-27096464b1b1/v6 | ef:flow/01910d1f-6b12-49b1-83ea-27096464b1b1/v7 |
| ef:activity/change/20260820T1555490862250000/228469 | properties | ef:agent/enrich_references | ef:flow/01910d1f-6b12-49b1-83ea-27096464b1b1/v7 | ef:flow/01910d1f-6b12-49b1-83ea-27096464b1b1/v8 |
| ef:activity/change/20260820T1555490862250000/228470 | skos_definition | ef:agent/enrich_references | ef:flow/01910d1f-6b12-49b1-83ea-27096464b1b1/v8 | ef:flow/01910d1f-6b12-49b1-83ea-27096464b1b1/v9 |
| ef:activity/change/20260820T1555490862250000/228471 | references | ef:agent/enrich_references | ef:flow/01910d1f-6b12-49b1-83ea-27096464b1b1/v9 | ef:flow/01910d1f-6b12-49b1-83ea-27096464b1b1/v10 |
| ef:activity/change/20260820T1555490862250000/254542 | altLabel | ef:agent/chebi_altlabels | ef:flow/01910d1f-6b12-49b1-83ea-27096464b1b1/v10 | ef:flow/01910d1f-6b12-49b1-83ea-27096464b1b1/v11 |
| ef:activity/change/20260820T1555490862250000/261339 | prefLabel | ef:agent/consensus_match | ef:flow/01910d1f-6b12-49b1-83ea-27096464b1b1/v11 | ef:flow/01910d1f-6b12-49b1-83ea-27096464b1b1/v12 |
| ef:activity/change/20260820T1555490862250000/261340 | altLabel | ef:agent/consensus_match | ef:flow/01910d1f-6b12-49b1-83ea-27096464b1b1/v12 | ef:flow/01910d1f-6b12-49b1-83ea-27096464b1b1/v13 |
| ef:activity/change/20260820T1555490862250000/261341 | altLabel | ef:agent/consensus_match | ef:flow/01910d1f-6b12-49b1-83ea-27096464b1b1/v13 | ef:flow/01910d1f-6b12-49b1-83ea-27096464b1b1/v14 |
| ef:activity/change/20260820T1555490862250000/261342 | cas_match_labels | ef:agent/consensus_match | ef:flow/01910d1f-6b12-49b1-83ea-27096464b1b1/v14 | ef:flow/01910d1f-6b12-49b1-83ea-27096464b1b1/v15 |
| ef:activity/change/20260820T1555490862250000/273831 | properties | ef:agent/opsin_iupac | ef:flow/01910d1f-6b12-49b1-83ea-27096464b1b1/v15 | ef:flow/01910d1f-6b12-49b1-83ea-27096464b1b1/v16 |
| ef:activity/change/20260820T1555490862250000/280215 | properties | ef:agent/rdkit_post_consensus | ef:flow/01910d1f-6b12-49b1-83ea-27096464b1b1/v16 | ef:flow/01910d1f-6b12-49b1-83ea-27096464b1b1/v17 |
| ef:activity/change/20260820T1555490862250000/287546 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/01910d1f-6b12-49b1-83ea-27096464b1b1/v17 | ef:flow/01910d1f-6b12-49b1-83ea-27096464b1b1/v18 |
| ef:activity/change/20260820T1555490862250000/294481 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/01910d1f-6b12-49b1-83ea-27096464b1b1/v18 | ef:flow/01910d1f-6b12-49b1-83ea-27096464b1b1/v19 |
| ef:activity/change/20260820T1555490862250000/388116 | properties | ef:agent/normalise_property_values | ef:flow/01910d1f-6b12-49b1-83ea-27096464b1b1/v19 | ef:flow/01910d1f-6b12-49b1-83ea-27096464b1b1/v20 |
| ef:activity/change/20260820T1555490862250000/394717 | types | ef:agent/link_flows_to_their_substance | ef:flow/01910d1f-6b12-49b1-83ea-27096464b1b1/v20 | ef:flow/01910d1f-6b12-49b1-83ea-27096464b1b1/v21 |