3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic Acid
Everything that changed this flow. Back to the flow
4a912fb3-3308-46ca-8e3b-688ee5303234
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 4 catalogue altLabel value(s): 'A 05150' (grade code), 'KPL 53253' (grade code), 'LA 6G' (grade code), 'NSC 96616' (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=3-hydroxy-2-(hydroxymethyl)-2-methylpropanoicacid||dimension=Environmental > media=Air > strata=Medium stack, <150 meters > population_density=Rural (<1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'4767-03-7': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-01d34fd442ac5e71: {'4767-03-7': '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 air, unspecified (long-term) |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified (long-term) |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['4767-03-7']; matched_chebi_ids=[]; candidate_pubchem_cids=[78501]; selected_pubchem_cids=[78501]; 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 |
|---|---|---|---|---|---|
| 4,497 | bootstrap_labels | prefLabel | — | [{"@value":"3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid","@language":"en","source":{"prov:wasGeneratedBy":"boots… | Bootstrapped prefLabel from legacy name field |
| 4,498 | bootstrap_labels | name | 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid | — | Purged legacy name field to enforce prefLabel usage |
| 4,499 | bootstrap_labels | synonyms | ["organic","2,2-bis(hydroxymethyl)propionicacid","dmpa"] | [] | Removed legacy synonyms field in favor of structured labels |
| 85,486 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Long-term"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified (long-term) |
| 85,487 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-lote | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified (long-term) |
| 214,841 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 222,124 | normalize_name_case | prefLabel | [{"@value":"3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid","@language":"en","source":{"prov:wasGeneratedBy":"boots… | [{"@value":"3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic Acid","@language":"en","source":{"prov:wasGeneratedBy":"boots… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 231,504 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H10O4"],… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 231,505 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 231,506 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J21.873A","provenance":{"prov:wasGeneratedBy":"enrich_referenc… | Added references with provenance; cas_numbers=['4767-03-7']; matched_chebi_ids=[]; candidate_pubchem_cids=[78501]; selected_pubchem_cids=[78501]; 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 |
| 249,558 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H10O4"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H10O4"],… | rdkit_pre_consensus from 'CC(CO)(CO)C(=O)O'; added: molecular_mass, monoisotopic_mass |
| 262,016 | consensus_match | altLabel | [] | [{"@value":"2,2-Bis(hydroxymethyl)propanoic acid","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","p… | group_key=3-hydroxy-2-(hydroxymethyl)-2-methylpropanoicacid||dimension=Environmental > media=Air > strata=Medium stack, <150 meters > population_density=Rural (<1000 people/square mile); cas=4767-03-7; added Common Chemistry CAS names as altLabel: 2,2-Bis(hydroxymethyl)propanoic acid, 2,2-Bis(hydroxymethyl)propionic acid, 2,2-Bis(methylol)propionic acid, 2,2-Dihydroxymethylpropanoic acid, 2,2-Dihydroxymethylpropionic acid, 2,2-Dimethylolpropionic acid, 3-Hydroxy-2-hydroxymethyl-2-methylpropionic acid, A 05150, Bis(hydroxymethyl)propionic acid, Bis-MPA, DMPA, Dimethylolpropionic acid, KPL 53253, LA 6G, NSC 96616, Nikkamer PA, Propanoic acid, 2,2-bis(hydroxymethyl)-, Propanoic acid, 3-hydroxy-2-(hydroxymethyl)-2-methyl-, Propionic acid, 2,2-bis(hydroxymethyl)-, α,α-Bis(hydroxymethyl)propionic acid, α,α-Dimethylolpropionic acid; object_uuid=fo-01d34fd442ac5e71 |
| 262,017 | consensus_match | cas_match_labels | — | {"4767-03-7":"exactMatch"} | group_key=3-hydroxy-2-(hydroxymethyl)-2-methylpropanoicacid||dimension=Environmental > media=Air > strata=Medium stack, <150 meters > population_density=Rural (<1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'4767-03-7': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-01d34fd442ac5e71: {'4767-03-7': 'exactMatch'} |
| 274,693 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H10O4"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H10O4"],… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic Acid' |
| 281,153 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H10O4"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H10O4"],… | rdkit_post_consensus from 'CC(CO)(CO)C(=O)O'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 288,171 | strip_catalogue_altlabels | altLabel | [{"@value":"2,2-Bis(hydroxymethyl)propanoic acid","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","p… | [{"@value":"2,2-Bis(hydroxymethyl)propanoic acid","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","p… | Removed 4 catalogue altLabel value(s): 'A 05150' (grade code), 'KPL 53253' (grade code), 'LA 6G' (grade code), 'NSC 96616' (registry code) |
| 323,758 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/4a912fb3-3308-… | associations resolved on the elementary layer |
| 389,001 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H10O4"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H10O4"],… | typed the way the ontology types it |
| 395,966 | 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/20260821T1302361922970000/4497 | prefLabel | ef:agent/bootstrap_labels | ef:flow/4a912fb3-3308-46ca-8e3b-688ee5303234/v0 | ef:flow/4a912fb3-3308-46ca-8e3b-688ee5303234/v1 |
| ef:activity/change/20260821T1302361922970000/4498 | name | ef:agent/bootstrap_labels | ef:flow/4a912fb3-3308-46ca-8e3b-688ee5303234/v1 | ef:flow/4a912fb3-3308-46ca-8e3b-688ee5303234/v2 |
| ef:activity/change/20260821T1302361922970000/4499 | synonyms | ef:agent/bootstrap_labels | ef:flow/4a912fb3-3308-46ca-8e3b-688ee5303234/v2 | ef:flow/4a912fb3-3308-46ca-8e3b-688ee5303234/v3 |
| ef:activity/change/20260821T1302361922970000/85486 | context | ef:agent/default_context_mapping | ef:flow/4a912fb3-3308-46ca-8e3b-688ee5303234/v3 | ef:flow/4a912fb3-3308-46ca-8e3b-688ee5303234/v4 |
| ef:activity/change/20260821T1302361922970000/85487 | context_iri | ef:agent/default_context_mapping | ef:flow/4a912fb3-3308-46ca-8e3b-688ee5303234/v4 | ef:flow/4a912fb3-3308-46ca-8e3b-688ee5303234/v5 |
| ef:activity/change/20260821T1302361922970000/214841 | unit_iri | ef:agent/unit_normalization | ef:flow/4a912fb3-3308-46ca-8e3b-688ee5303234/v5 | ef:flow/4a912fb3-3308-46ca-8e3b-688ee5303234/v6 |
| ef:activity/change/20260821T1302361922970000/222124 | prefLabel | ef:agent/normalize_name_case | ef:flow/4a912fb3-3308-46ca-8e3b-688ee5303234/v6 | ef:flow/4a912fb3-3308-46ca-8e3b-688ee5303234/v7 |
| ef:activity/change/20260821T1302361922970000/231504 | properties | ef:agent/enrich_references | ef:flow/4a912fb3-3308-46ca-8e3b-688ee5303234/v7 | ef:flow/4a912fb3-3308-46ca-8e3b-688ee5303234/v8 |
| ef:activity/change/20260821T1302361922970000/231505 | skos_definition | ef:agent/enrich_references | ef:flow/4a912fb3-3308-46ca-8e3b-688ee5303234/v8 | ef:flow/4a912fb3-3308-46ca-8e3b-688ee5303234/v9 |
| ef:activity/change/20260821T1302361922970000/231506 | references | ef:agent/enrich_references | ef:flow/4a912fb3-3308-46ca-8e3b-688ee5303234/v9 | ef:flow/4a912fb3-3308-46ca-8e3b-688ee5303234/v10 |
| ef:activity/change/20260821T1302361922970000/249558 | properties | ef:agent/rdkit_pre_consensus | ef:flow/4a912fb3-3308-46ca-8e3b-688ee5303234/v10 | ef:flow/4a912fb3-3308-46ca-8e3b-688ee5303234/v11 |
| ef:activity/change/20260821T1302361922970000/262016 | altLabel | ef:agent/consensus_match | ef:flow/4a912fb3-3308-46ca-8e3b-688ee5303234/v11 | ef:flow/4a912fb3-3308-46ca-8e3b-688ee5303234/v12 |
| ef:activity/change/20260821T1302361922970000/262017 | cas_match_labels | ef:agent/consensus_match | ef:flow/4a912fb3-3308-46ca-8e3b-688ee5303234/v12 | ef:flow/4a912fb3-3308-46ca-8e3b-688ee5303234/v13 |
| ef:activity/change/20260821T1302361922970000/274693 | properties | ef:agent/opsin_iupac | ef:flow/4a912fb3-3308-46ca-8e3b-688ee5303234/v13 | ef:flow/4a912fb3-3308-46ca-8e3b-688ee5303234/v14 |
| ef:activity/change/20260821T1302361922970000/281153 | properties | ef:agent/rdkit_post_consensus | ef:flow/4a912fb3-3308-46ca-8e3b-688ee5303234/v14 | ef:flow/4a912fb3-3308-46ca-8e3b-688ee5303234/v15 |
| ef:activity/change/20260821T1302361922970000/288171 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/4a912fb3-3308-46ca-8e3b-688ee5303234/v15 | ef:flow/4a912fb3-3308-46ca-8e3b-688ee5303234/v16 |
| ef:activity/change/20260821T1302361922970000/323758 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/4a912fb3-3308-46ca-8e3b-688ee5303234/v16 | ef:flow/4a912fb3-3308-46ca-8e3b-688ee5303234/v17 |
| ef:activity/change/20260821T1302361922970000/389001 | properties | ef:agent/normalise_property_values | ef:flow/4a912fb3-3308-46ca-8e3b-688ee5303234/v17 | ef:flow/4a912fb3-3308-46ca-8e3b-688ee5303234/v18 |
| ef:activity/change/20260821T1302361922970000/395966 | types | ef:agent/link_flows_to_their_substance | ef:flow/4a912fb3-3308-46ca-8e3b-688ee5303234/v18 | ef:flow/4a912fb3-3308-46ca-8e3b-688ee5303234/v19 |