2-hydroxy-4-(methylthio)butyric Acid
Everything that changed this flow. Back to the flow
b8945588-74d3-4dc2-bfdb-59c2ed09a6a7
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 | 2 | consensus_match, strip_catalogue_altlabels | Removed 1 catalogue altLabel value(s): 'AT 88' (grade 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=2-hydroxy-4-(methylthio)butyricacid||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['ec_inventory', 'pubchem']; cas_sources={'583-91-5': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-adfaec851dc2892a: {'583-91-5': '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 water, unspecified |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['583-91-5']; matched_chebi_ids=[]; candidate_pubchem_cids=[11427, 176447693]; selected_pubchem_cids=[11427]; 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 |
|---|---|---|---|---|---|
| 12,701 | bootstrap_labels | prefLabel | — | [{"@value":"2-hydroxy-4-(methylthio)butyric acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","… | Bootstrapped prefLabel from legacy name field |
| 12,702 | bootstrap_labels | name | 2-hydroxy-4-(methylthio)butyric acid | — | Purged legacy name field to enforce prefLabel usage |
| 12,703 | bootstrap_labels | synonyms | ["(+-)-2-Hydroxy-4-(methylthio)butyric acid","(RS)-3-Hydroxy-4-(methylthio)buttersaeure","2-Hydroxy-4-(methylthio) buta… | [] | Removed legacy synonyms field in favor of structured labels |
| 159,376 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified |
| 159,377 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified |
| 217,541 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 224,044 | normalize_name_case | prefLabel | [{"@value":"2-hydroxy-4-(methylthio)butyric acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","… | [{"@value":"2-hydroxy-4-(methylthio)butyric Acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 239,245 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H10O3S"]… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 239,246 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 239,247 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J21.888J","provenance":{"prov:wasGeneratedBy":"enrich_referenc… | Added references with provenance; cas_numbers=['583-91-5']; matched_chebi_ids=[]; candidate_pubchem_cids=[11427, 176447693]; selected_pubchem_cids=[11427]; 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 |
| 251,786 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H10O3S"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H10O3S"]… | rdkit_pre_consensus from 'CSCCC(C(=O)O)O'; added: molecular_mass, monoisotopic_mass |
| 260,909 | consensus_match | altLabel | [] | [{"@value":"(+)-2-Hydroxy-4-(methylthio)butyric acid","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match… | group_key=2-hydroxy-4-(methylthio)butyricacid||dimension=Environmental > media=Water > water_body=Ocean; cas=583-91-5; added Common Chemistry CAS names as altLabel: (+)-2-Hydroxy-4-(methylthio)butyric acid, 2-Hydroxy-4-(methylmercapto)butyric acid, 2-Hydroxy-4-(methylsulfanyl)butanoic acid, 2-Hydroxy-4-(methylthio)butanoic acid, 4-Methylthio-2-hydroxybutyric acid, <span class="text-smallcaps">DL</span>-2-Hydroxy-4-(methylmercapto)butanoic acid, <span class="text-smallcaps">DL</span>-2-Hydroxy-4-(methylmercapto)butyric acid, <span class="text-smallcaps">DL</span>-2-Hydroxy-4-(methylthio)butanoic acid, <span class="text-smallcaps">DL</span>-2-Hydroxy-4-(methylthio)butyric acid, <span class="text-smallcaps">DL</span>-α-Hydroxy-γ-methylmercaptobutyric acid, AT 88, Alimet, BIOX-A, Butanoic acid, 2-hydroxy-4-(methylthio)-, Butyric acid, 2-hydroxy-4-(methylthio)-, Butyric acid, α-hydroxy-γ-(methylmercapto)-, Desmenidol, Desmeninol, HMTBA, Hydan L, MHA acid, MHA-FA, α-Hydroxy-4-(methylthio)butyric acid, α-Hydroxy-γ-(methylmercapto)butyric acid, α-Hydroxy-γ-(methylthio)butyric acid, γ-(Methylmercapto)-α-hydroxybutyric acid, γ-(Methylthio)-α-hydroxybutyric acid; object_uuid=fo-adfaec851dc2892a |
| 260,910 | consensus_match | cas_match_labels | — | {"583-91-5":"exactMatch"} | group_key=2-hydroxy-4-(methylthio)butyricacid||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['ec_inventory', 'pubchem']; cas_sources={'583-91-5': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-adfaec851dc2892a: {'583-91-5': 'exactMatch'} |
| 276,971 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H10O3S"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H10O3S"]… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '2-hydroxy-4-(methylthio)butyric Acid' |
| 283,623 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H10O3S"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H10O3S"]… | rdkit_post_consensus from 'CSCCC(O)C(=O)O'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 289,873 | strip_catalogue_altlabels | altLabel | [{"@value":"(+)-2-Hydroxy-4-(methylthio)butyric acid","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match… | [{"@value":"(+)-2-Hydroxy-4-(methylthio)butyric acid","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match… | Removed 1 catalogue altLabel value(s): 'AT 88' (grade code) |
| 360,710 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/b8945588-74d3-… | associations resolved on the elementary layer |
| 391,326 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H10O3S"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H10O3S"]… | typed the way the ontology types it |
| 399,310 | 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/20260821T1122181958110000/12701 | prefLabel | ef:agent/bootstrap_labels | ef:flow/b8945588-74d3-4dc2-bfdb-59c2ed09a6a7/v0 | ef:flow/b8945588-74d3-4dc2-bfdb-59c2ed09a6a7/v1 |
| ef:activity/change/20260821T1122181958110000/12702 | name | ef:agent/bootstrap_labels | ef:flow/b8945588-74d3-4dc2-bfdb-59c2ed09a6a7/v1 | ef:flow/b8945588-74d3-4dc2-bfdb-59c2ed09a6a7/v2 |
| ef:activity/change/20260821T1122181958110000/12703 | synonyms | ef:agent/bootstrap_labels | ef:flow/b8945588-74d3-4dc2-bfdb-59c2ed09a6a7/v2 | ef:flow/b8945588-74d3-4dc2-bfdb-59c2ed09a6a7/v3 |
| ef:activity/change/20260821T1122181958110000/159376 | context | ef:agent/default_context_mapping | ef:flow/b8945588-74d3-4dc2-bfdb-59c2ed09a6a7/v3 | ef:flow/b8945588-74d3-4dc2-bfdb-59c2ed09a6a7/v4 |
| ef:activity/change/20260821T1122181958110000/159377 | context_iri | ef:agent/default_context_mapping | ef:flow/b8945588-74d3-4dc2-bfdb-59c2ed09a6a7/v4 | ef:flow/b8945588-74d3-4dc2-bfdb-59c2ed09a6a7/v5 |
| ef:activity/change/20260821T1122181958110000/217541 | unit_iri | ef:agent/unit_normalization | ef:flow/b8945588-74d3-4dc2-bfdb-59c2ed09a6a7/v5 | ef:flow/b8945588-74d3-4dc2-bfdb-59c2ed09a6a7/v6 |
| ef:activity/change/20260821T1122181958110000/224044 | prefLabel | ef:agent/normalize_name_case | ef:flow/b8945588-74d3-4dc2-bfdb-59c2ed09a6a7/v6 | ef:flow/b8945588-74d3-4dc2-bfdb-59c2ed09a6a7/v7 |
| ef:activity/change/20260821T1122181958110000/239245 | properties | ef:agent/enrich_references | ef:flow/b8945588-74d3-4dc2-bfdb-59c2ed09a6a7/v7 | ef:flow/b8945588-74d3-4dc2-bfdb-59c2ed09a6a7/v8 |
| ef:activity/change/20260821T1122181958110000/239246 | skos_definition | ef:agent/enrich_references | ef:flow/b8945588-74d3-4dc2-bfdb-59c2ed09a6a7/v8 | ef:flow/b8945588-74d3-4dc2-bfdb-59c2ed09a6a7/v9 |
| ef:activity/change/20260821T1122181958110000/239247 | references | ef:agent/enrich_references | ef:flow/b8945588-74d3-4dc2-bfdb-59c2ed09a6a7/v9 | ef:flow/b8945588-74d3-4dc2-bfdb-59c2ed09a6a7/v10 |
| ef:activity/change/20260821T1122181958110000/251786 | properties | ef:agent/rdkit_pre_consensus | ef:flow/b8945588-74d3-4dc2-bfdb-59c2ed09a6a7/v10 | ef:flow/b8945588-74d3-4dc2-bfdb-59c2ed09a6a7/v11 |
| ef:activity/change/20260821T1122181958110000/260909 | altLabel | ef:agent/consensus_match | ef:flow/b8945588-74d3-4dc2-bfdb-59c2ed09a6a7/v11 | ef:flow/b8945588-74d3-4dc2-bfdb-59c2ed09a6a7/v12 |
| ef:activity/change/20260821T1122181958110000/260910 | cas_match_labels | ef:agent/consensus_match | ef:flow/b8945588-74d3-4dc2-bfdb-59c2ed09a6a7/v12 | ef:flow/b8945588-74d3-4dc2-bfdb-59c2ed09a6a7/v13 |
| ef:activity/change/20260821T1122181958110000/276971 | properties | ef:agent/opsin_iupac | ef:flow/b8945588-74d3-4dc2-bfdb-59c2ed09a6a7/v13 | ef:flow/b8945588-74d3-4dc2-bfdb-59c2ed09a6a7/v14 |
| ef:activity/change/20260821T1122181958110000/283623 | properties | ef:agent/rdkit_post_consensus | ef:flow/b8945588-74d3-4dc2-bfdb-59c2ed09a6a7/v14 | ef:flow/b8945588-74d3-4dc2-bfdb-59c2ed09a6a7/v15 |
| ef:activity/change/20260821T1122181958110000/289873 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/b8945588-74d3-4dc2-bfdb-59c2ed09a6a7/v15 | ef:flow/b8945588-74d3-4dc2-bfdb-59c2ed09a6a7/v16 |
| ef:activity/change/20260821T1122181958110000/360710 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/b8945588-74d3-4dc2-bfdb-59c2ed09a6a7/v16 | ef:flow/b8945588-74d3-4dc2-bfdb-59c2ed09a6a7/v17 |
| ef:activity/change/20260821T1122181958110000/391326 | properties | ef:agent/normalise_property_values | ef:flow/b8945588-74d3-4dc2-bfdb-59c2ed09a6a7/v17 | ef:flow/b8945588-74d3-4dc2-bfdb-59c2ed09a6a7/v18 |
| ef:activity/change/20260821T1122181958110000/399310 | types | ef:agent/link_flows_to_their_substance | ef:flow/b8945588-74d3-4dc2-bfdb-59c2ed09a6a7/v18 | ef:flow/b8945588-74d3-4dc2-bfdb-59c2ed09a6a7/v19 |