2,2-bis(hydroxymethyl)butanoic Acid
Everything that changed this flow. Back to the flow
f0a0da23-70e8-4537-94fa-586d81ea2c7a
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): 'HS 519' (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=2,2-bis(hydroxymethyl)butanoicacid||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['pubchem']; cas_sources={'10097-02-6': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-8ca3d44942c1fd1d: {'10097-02-6': '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 air > Emissions to lower stratosphere and upper troposphere |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to lower stratosphere and upper troposphere |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['10097-02-6']; matched_chebi_ids=[]; candidate_pubchem_cids=[3301396]; selected_pubchem_cids=[3301396]; 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 |
|---|---|---|---|---|---|
| 10,728 | bootstrap_labels | prefLabel | — | [{"@value":"2,2-bis(hydroxymethyl)butanoic acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","p… | Bootstrapped prefLabel from legacy name field |
| 10,729 | bootstrap_labels | name | 2,2-bis(hydroxymethyl)butanoic acid | — | Purged legacy name field to enforce prefLabel usage |
| 10,730 | bootstrap_labels | synonyms | ["organic","2,2-bis(hydroxymethyl)butanoicacid"] | [] | Removed legacy synonyms field in favor of structured labels |
| 193,580 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Aircraft cruise height"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to lower stratosphere and upper troposphere |
| 193,581 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-aicrhe | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to lower stratosphere and upper troposphere |
| 216,901 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 223,605 | normalize_name_case | prefLabel | [{"@value":"2,2-bis(hydroxymethyl)butanoic acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","p… | [{"@value":"2,2-bis(hydroxymethyl)butanoic Acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","p… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 237,397 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H12O4"],… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 237,398 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 237,399 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.110.279D","provenance":{"prov:wasGeneratedBy":"enrich_refer… | Added references with provenance; cas_numbers=['10097-02-6']; matched_chebi_ids=[]; candidate_pubchem_cids=[3301396]; selected_pubchem_cids=[3301396]; 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 |
| 251,254 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H12O4"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H12O4"],… | rdkit_pre_consensus from 'CCC(CO)(CO)C(=O)O'; added: molecular_mass, monoisotopic_mass |
| 259,614 | consensus_match | altLabel | [] | [{"@value":"2,2-Bis(hydroxymethyl)butyric acid","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","pro… | group_key=2,2-bis(hydroxymethyl)butanoicacid||dimension=Environmental > media=Water > water_body=Unknown; cas=10097-02-6; added Common Chemistry CAS names as altLabel: 2,2-Bis(hydroxymethyl)butyric acid, 2,2-Bis(methylol)butanoic acid, 2,2-Dimethylolbutanoic acid, 2,2-Dimethylolbutyric acid, Bis(hydroxymethyl)butanoic acid, Butanoic acid, 2,2-bis(hydroxymethyl)-, Butyric acid, 2,2-bis(hydroxymethyl)-, DMBA, Dimethylolbutanoic acid, Dimethylolbutyric acid, HS 519, Nikkamer BA, α,α-Dimethylolbutanoic acid; object_uuid=fo-8ca3d44942c1fd1d |
| 259,615 | consensus_match | cas_match_labels | — | {"10097-02-6":"exactMatch"} | group_key=2,2-bis(hydroxymethyl)butanoicacid||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['pubchem']; cas_sources={'10097-02-6': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-8ca3d44942c1fd1d: {'10097-02-6': 'exactMatch'} |
| 276,452 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H12O4"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H12O4"],… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '2,2-bis(hydroxymethyl)butanoic Acid' |
| 283,055 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H12O4"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H12O4"],… | rdkit_post_consensus from 'CCC(CO)(CO)C(=O)O'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 289,503 | strip_catalogue_altlabels | altLabel | [{"@value":"2,2-Bis(hydroxymethyl)butyric acid","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","pro… | [{"@value":"2,2-Bis(hydroxymethyl)butyric acid","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","pro… | Removed 1 catalogue altLabel value(s): 'HS 519' (grade code) |
| 377,842 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/f0a0da23-70e8-… | associations resolved on the elementary layer |
| 390,807 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H12O4"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H12O4"],… | typed the way the ontology types it |
| 398,575 | 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/20260820T0738569779880000/10728 | prefLabel | ef:agent/bootstrap_labels | ef:flow/f0a0da23-70e8-4537-94fa-586d81ea2c7a/v0 | ef:flow/f0a0da23-70e8-4537-94fa-586d81ea2c7a/v1 |
| ef:activity/change/20260820T0738569779880000/10729 | name | ef:agent/bootstrap_labels | ef:flow/f0a0da23-70e8-4537-94fa-586d81ea2c7a/v1 | ef:flow/f0a0da23-70e8-4537-94fa-586d81ea2c7a/v2 |
| ef:activity/change/20260820T0738569779880000/10730 | synonyms | ef:agent/bootstrap_labels | ef:flow/f0a0da23-70e8-4537-94fa-586d81ea2c7a/v2 | ef:flow/f0a0da23-70e8-4537-94fa-586d81ea2c7a/v3 |
| ef:activity/change/20260820T0738569779880000/193580 | context | ef:agent/default_context_mapping | ef:flow/f0a0da23-70e8-4537-94fa-586d81ea2c7a/v3 | ef:flow/f0a0da23-70e8-4537-94fa-586d81ea2c7a/v4 |
| ef:activity/change/20260820T0738569779880000/193581 | context_iri | ef:agent/default_context_mapping | ef:flow/f0a0da23-70e8-4537-94fa-586d81ea2c7a/v4 | ef:flow/f0a0da23-70e8-4537-94fa-586d81ea2c7a/v5 |
| ef:activity/change/20260820T0738569779880000/216901 | unit_iri | ef:agent/unit_normalization | ef:flow/f0a0da23-70e8-4537-94fa-586d81ea2c7a/v5 | ef:flow/f0a0da23-70e8-4537-94fa-586d81ea2c7a/v6 |
| ef:activity/change/20260820T0738569779880000/223605 | prefLabel | ef:agent/normalize_name_case | ef:flow/f0a0da23-70e8-4537-94fa-586d81ea2c7a/v6 | ef:flow/f0a0da23-70e8-4537-94fa-586d81ea2c7a/v7 |
| ef:activity/change/20260820T0738569779880000/237397 | properties | ef:agent/enrich_references | ef:flow/f0a0da23-70e8-4537-94fa-586d81ea2c7a/v7 | ef:flow/f0a0da23-70e8-4537-94fa-586d81ea2c7a/v8 |
| ef:activity/change/20260820T0738569779880000/237398 | skos_definition | ef:agent/enrich_references | ef:flow/f0a0da23-70e8-4537-94fa-586d81ea2c7a/v8 | ef:flow/f0a0da23-70e8-4537-94fa-586d81ea2c7a/v9 |
| ef:activity/change/20260820T0738569779880000/237399 | references | ef:agent/enrich_references | ef:flow/f0a0da23-70e8-4537-94fa-586d81ea2c7a/v9 | ef:flow/f0a0da23-70e8-4537-94fa-586d81ea2c7a/v10 |
| ef:activity/change/20260820T0738569779880000/251254 | properties | ef:agent/rdkit_pre_consensus | ef:flow/f0a0da23-70e8-4537-94fa-586d81ea2c7a/v10 | ef:flow/f0a0da23-70e8-4537-94fa-586d81ea2c7a/v11 |
| ef:activity/change/20260820T0738569779880000/259614 | altLabel | ef:agent/consensus_match | ef:flow/f0a0da23-70e8-4537-94fa-586d81ea2c7a/v11 | ef:flow/f0a0da23-70e8-4537-94fa-586d81ea2c7a/v12 |
| ef:activity/change/20260820T0738569779880000/259615 | cas_match_labels | ef:agent/consensus_match | ef:flow/f0a0da23-70e8-4537-94fa-586d81ea2c7a/v12 | ef:flow/f0a0da23-70e8-4537-94fa-586d81ea2c7a/v13 |
| ef:activity/change/20260820T0738569779880000/276452 | properties | ef:agent/opsin_iupac | ef:flow/f0a0da23-70e8-4537-94fa-586d81ea2c7a/v13 | ef:flow/f0a0da23-70e8-4537-94fa-586d81ea2c7a/v14 |
| ef:activity/change/20260820T0738569779880000/283055 | properties | ef:agent/rdkit_post_consensus | ef:flow/f0a0da23-70e8-4537-94fa-586d81ea2c7a/v14 | ef:flow/f0a0da23-70e8-4537-94fa-586d81ea2c7a/v15 |
| ef:activity/change/20260820T0738569779880000/289503 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/f0a0da23-70e8-4537-94fa-586d81ea2c7a/v15 | ef:flow/f0a0da23-70e8-4537-94fa-586d81ea2c7a/v16 |
| ef:activity/change/20260820T0738569779880000/377842 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/f0a0da23-70e8-4537-94fa-586d81ea2c7a/v16 | ef:flow/f0a0da23-70e8-4537-94fa-586d81ea2c7a/v17 |
| ef:activity/change/20260820T0738569779880000/390807 | properties | ef:agent/normalise_property_values | ef:flow/f0a0da23-70e8-4537-94fa-586d81ea2c7a/v17 | ef:flow/f0a0da23-70e8-4537-94fa-586d81ea2c7a/v18 |
| ef:activity/change/20260820T0738569779880000/398575 | types | ef:agent/link_flows_to_their_substance | ef:flow/f0a0da23-70e8-4537-94fa-586d81ea2c7a/v18 | ef:flow/f0a0da23-70e8-4537-94fa-586d81ea2c7a/v19 |