Dihydrolipoic acid
Everything that changed this flow. Back to the flow
fda7c6d8-7505-4c59-bb74-759ef4439a6d
By field
13 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 | 4 | chebi_altlabels, consensus_match, dedupe_altlabels | Deduplicated altLabel values and removed entries matching prefLabel |
| prefLabel | 3 | bootstrap_labels, consensus_match, normalize_name_case | cas=462-20-4; cc_chebi_agreed_name='Dihydrolipoic acid'; object_uuid=fo-5489bd1ffa889576 |
| cas_match_labels | 1 | consensus_match | group_key=6,8-disulfanyloctanoicacid||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['chebi', 'pubchem']; cas_sources={'462-20-4': ['chebi', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-5489bd1ffa889576: {'462-20-4': '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=['462-20-4']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_18047']; candidate_pubchem_cids=[421, 864, 9834298, 25244689]; selected_pubchem_cids=[421]; 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
22| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 6,077 | bootstrap_labels | prefLabel | — | [{"@value":"6,8-disulfanyloctanoic acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasA… | Bootstrapped prefLabel from legacy name field |
| 6,078 | bootstrap_labels | name | 6,8-disulfanyloctanoic acid | — | Purged legacy name field to enforce prefLabel usage |
| 6,079 | bootstrap_labels | synonyms | ["organic","octanoicacid,6,8-dimercapto-othernamesdihydrolipoicacid"] | [] | Removed legacy synonyms field in favor of structured labels |
| 202,100 | 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 |
| 202,101 | 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 |
| 215,370 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 222,499 | normalize_name_case | prefLabel | [{"@value":"6,8-disulfanyloctanoic acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasA… | [{"@value":"6,8-disulfanyloctanoic Acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasA… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 233,023 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H16O2S2"… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 233,024 | enrich_references | skos_definition | — | [{"@value":"A thio-fatty acid that is reduced form of lipoic acid. A potent antioxidant shown to directly destroy super… | Merged ChEBI/PubChem definitions into skos:definition |
| 233,025 | enrich_references | references | [] | [{"@id":"gmelin:675796","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedTo":"con… | Added references with provenance; cas_numbers=['462-20-4']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_18047']; candidate_pubchem_cids=[421, 864, 9834298, 25244689]; selected_pubchem_cids=[421]; 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 |
| 250,001 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H16O2S2"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H16O2S2"… | rdkit_pre_consensus from 'C(CCC(=O)O)CC(CCS)S'; added: monoisotopic_mass |
| 255,139 | chebi_altlabels | altLabel | [] | [{"@value":"6,8-Dihydrothioctic acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttri… | Added 9 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 263,202 | consensus_match | prefLabel | [{"@value":"6,8-disulfanyloctanoic Acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasA… | [{"@value":"Dihydrolipoic acid","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedT… | cas=462-20-4; cc_chebi_agreed_name='Dihydrolipoic acid'; object_uuid=fo-5489bd1ffa889576 |
| 263,203 | consensus_match | altLabel | [{"@value":"6,8-Dihydrothioctic acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttri… | [{"@value":"6,8-Dihydrothioctic acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttri… | cas=462-20-4; added original name as altLabel after CC/ChEBI rename; object_uuid=fo-5489bd1ffa889576 |
| 263,204 | consensus_match | altLabel | [{"@value":"6,8-Dihydrothioctic acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttri… | [{"@value":"6,8-Dihydrothioctic acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttri… | group_key=6,8-disulfanyloctanoicacid||dimension=Environmental > media=Ground > geography=Agricultural; cas=462-20-4; added Common Chemistry CAS names as altLabel: (±)-Dihydro-α-lipoic acid, (±)-Dihydrolipoic acid, 6,8-Dithiooctanoic acid, <em>dl</em>-Dihydrolipoic acid, <span class="text-smallcaps">DL</span>-Dihydro-α-lipoic acid, Octanoic acid, 6,8-dimercapto-, Reduced lipoic acid, Reduced thioctic acid, Thioctic acid, dihydro-, α-Lipoic acid, dihydro-, γ-Lipoic acid; object_uuid=fo-5489bd1ffa889576 |
| 263,205 | consensus_match | cas_match_labels | — | {"462-20-4":"exactMatch"} | group_key=6,8-disulfanyloctanoicacid||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['chebi', 'pubchem']; cas_sources={'462-20-4': ['chebi', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-5489bd1ffa889576: {'462-20-4': 'exactMatch'} |
| 275,136 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H16O2S2"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H16O2S2"… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '6,8-bis-sulfanyloctanoic acid' |
| 281,633 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H16O2S2"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H16O2S2"… | rdkit_post_consensus from 'O=C(O)CCCCC(S)CCS'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 292,303 | dedupe_altlabels | altLabel | [{"@value":"6,8-Dihydrothioctic acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttri… | [{"@value":"6,8-Dihydrothioctic acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttri… | Deduplicated altLabel values and removed entries matching prefLabel |
| 382,084 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/fda7c6d8-7505-… | associations resolved on the elementary layer |
| 389,442 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H16O2S2"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H16O2S2"… | typed the way the ontology types it |
| 396,597 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
PROV-O trail
22 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/20260822T0600486828500000/6077 | prefLabel | ef:agent/bootstrap_labels | ef:flow/fda7c6d8-7505-4c59-bb74-759ef4439a6d/v0 | ef:flow/fda7c6d8-7505-4c59-bb74-759ef4439a6d/v1 |
| ef:activity/change/20260822T0600486828500000/6078 | name | ef:agent/bootstrap_labels | ef:flow/fda7c6d8-7505-4c59-bb74-759ef4439a6d/v1 | ef:flow/fda7c6d8-7505-4c59-bb74-759ef4439a6d/v2 |
| ef:activity/change/20260822T0600486828500000/6079 | synonyms | ef:agent/bootstrap_labels | ef:flow/fda7c6d8-7505-4c59-bb74-759ef4439a6d/v2 | ef:flow/fda7c6d8-7505-4c59-bb74-759ef4439a6d/v3 |
| ef:activity/change/20260822T0600486828500000/202100 | context | ef:agent/default_context_mapping | ef:flow/fda7c6d8-7505-4c59-bb74-759ef4439a6d/v3 | ef:flow/fda7c6d8-7505-4c59-bb74-759ef4439a6d/v4 |
| ef:activity/change/20260822T0600486828500000/202101 | context_iri | ef:agent/default_context_mapping | ef:flow/fda7c6d8-7505-4c59-bb74-759ef4439a6d/v4 | ef:flow/fda7c6d8-7505-4c59-bb74-759ef4439a6d/v5 |
| ef:activity/change/20260822T0600486828500000/215370 | unit_iri | ef:agent/unit_normalization | ef:flow/fda7c6d8-7505-4c59-bb74-759ef4439a6d/v5 | ef:flow/fda7c6d8-7505-4c59-bb74-759ef4439a6d/v6 |
| ef:activity/change/20260822T0600486828500000/222499 | prefLabel | ef:agent/normalize_name_case | ef:flow/fda7c6d8-7505-4c59-bb74-759ef4439a6d/v6 | ef:flow/fda7c6d8-7505-4c59-bb74-759ef4439a6d/v7 |
| ef:activity/change/20260822T0600486828500000/233023 | properties | ef:agent/enrich_references | ef:flow/fda7c6d8-7505-4c59-bb74-759ef4439a6d/v7 | ef:flow/fda7c6d8-7505-4c59-bb74-759ef4439a6d/v8 |
| ef:activity/change/20260822T0600486828500000/233024 | skos_definition | ef:agent/enrich_references | ef:flow/fda7c6d8-7505-4c59-bb74-759ef4439a6d/v8 | ef:flow/fda7c6d8-7505-4c59-bb74-759ef4439a6d/v9 |
| ef:activity/change/20260822T0600486828500000/233025 | references | ef:agent/enrich_references | ef:flow/fda7c6d8-7505-4c59-bb74-759ef4439a6d/v9 | ef:flow/fda7c6d8-7505-4c59-bb74-759ef4439a6d/v10 |
| ef:activity/change/20260822T0600486828500000/250001 | properties | ef:agent/rdkit_pre_consensus | ef:flow/fda7c6d8-7505-4c59-bb74-759ef4439a6d/v10 | ef:flow/fda7c6d8-7505-4c59-bb74-759ef4439a6d/v11 |
| ef:activity/change/20260822T0600486828500000/255139 | altLabel | ef:agent/chebi_altlabels | ef:flow/fda7c6d8-7505-4c59-bb74-759ef4439a6d/v11 | ef:flow/fda7c6d8-7505-4c59-bb74-759ef4439a6d/v12 |
| ef:activity/change/20260822T0600486828500000/263202 | prefLabel | ef:agent/consensus_match | ef:flow/fda7c6d8-7505-4c59-bb74-759ef4439a6d/v12 | ef:flow/fda7c6d8-7505-4c59-bb74-759ef4439a6d/v13 |
| ef:activity/change/20260822T0600486828500000/263203 | altLabel | ef:agent/consensus_match | ef:flow/fda7c6d8-7505-4c59-bb74-759ef4439a6d/v13 | ef:flow/fda7c6d8-7505-4c59-bb74-759ef4439a6d/v14 |
| ef:activity/change/20260822T0600486828500000/263204 | altLabel | ef:agent/consensus_match | ef:flow/fda7c6d8-7505-4c59-bb74-759ef4439a6d/v14 | ef:flow/fda7c6d8-7505-4c59-bb74-759ef4439a6d/v15 |
| ef:activity/change/20260822T0600486828500000/263205 | cas_match_labels | ef:agent/consensus_match | ef:flow/fda7c6d8-7505-4c59-bb74-759ef4439a6d/v15 | ef:flow/fda7c6d8-7505-4c59-bb74-759ef4439a6d/v16 |
| ef:activity/change/20260822T0600486828500000/275136 | properties | ef:agent/opsin_iupac | ef:flow/fda7c6d8-7505-4c59-bb74-759ef4439a6d/v16 | ef:flow/fda7c6d8-7505-4c59-bb74-759ef4439a6d/v17 |
| ef:activity/change/20260822T0600486828500000/281633 | properties | ef:agent/rdkit_post_consensus | ef:flow/fda7c6d8-7505-4c59-bb74-759ef4439a6d/v17 | ef:flow/fda7c6d8-7505-4c59-bb74-759ef4439a6d/v18 |
| ef:activity/change/20260822T0600486828500000/292303 | altLabel | ef:agent/dedupe_altlabels | ef:flow/fda7c6d8-7505-4c59-bb74-759ef4439a6d/v18 | ef:flow/fda7c6d8-7505-4c59-bb74-759ef4439a6d/v19 |
| ef:activity/change/20260822T0600486828500000/382084 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/fda7c6d8-7505-4c59-bb74-759ef4439a6d/v19 | ef:flow/fda7c6d8-7505-4c59-bb74-759ef4439a6d/v20 |
| ef:activity/change/20260822T0600486828500000/389442 | properties | ef:agent/normalise_property_values | ef:flow/fda7c6d8-7505-4c59-bb74-759ef4439a6d/v20 | ef:flow/fda7c6d8-7505-4c59-bb74-759ef4439a6d/v21 |
| ef:activity/change/20260822T0600486828500000/396597 | types | ef:agent/link_flows_to_their_substance | ef:flow/fda7c6d8-7505-4c59-bb74-759ef4439a6d/v21 | ef:flow/fda7c6d8-7505-4c59-bb74-759ef4439a6d/v22 |