2-methylpropyl-(r)-2-hydroxypropanoate
Everything that changed this flow. Back to the flow
6e457e28-9cc8-4d11-834b-d2300e55e37b
By field
13 fields| Field | Changes | Written by | Latest note |
|---|---|---|---|
| properties | 6 | enrich_references, link_flows_to_their_substance, normalise_property_values, opsin_iupac, rdkit_post_consensus, rdkit_pre_consensus | the substance's answer, copied onto its flow |
| altLabel | 2 | consensus_match, dedupe_altlabels | Deduplicated altLabel values and removed entries matching prefLabel |
| cas_match_labels | 1 | consensus_match | group_key=2-methylpropyl-(r)-2-hydroxypropanoate||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['pubchem']; cas_sources={'61597-96-4': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-7f62d7bfbb9e8c81: {'61597-96-4': '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 water, unspecified (long-term) |
| 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 (long-term) |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| prefLabel | 1 | bootstrap_labels | Bootstrapped prefLabel from legacy name field |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['61597-96-4']; matched_chebi_ids=[]; candidate_pubchem_cids=[92814, 10486989]; selected_pubchem_cids=[10486989]; 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 |
|---|---|---|---|---|---|
| 14,930 | bootstrap_labels | prefLabel | — | [{"@value":"2-methylpropyl-(r)-2-hydroxypropanoate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels"… | Bootstrapped prefLabel from legacy name field |
| 14,931 | bootstrap_labels | name | 2-methylpropyl-(r)-2-hydroxypropanoate | — | Purged legacy name field to enforce prefLabel usage |
| 14,932 | bootstrap_labels | synonyms | ["2-methylpropyl(r)-2-hydroxypropanoate","2-methylpropyl-(r)-2-hydroxypropanoate","2-methylpropyl(2r)-2-hydroxypropanoa… | [] | Removed legacy synonyms field in favor of structured labels |
| 115,468 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Long-term"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified (long-term) |
| 115,469 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-lote | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified (long-term) |
| 218,258 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 241,294 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H14O3"],… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 241,295 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 241,296 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J70.542J","provenance":{"prov:wasGeneratedBy":"enrich_referenc… | Added references with provenance; cas_numbers=['61597-96-4']; matched_chebi_ids=[]; candidate_pubchem_cids=[92814, 10486989]; selected_pubchem_cids=[10486989]; 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 |
| 252,383 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H14O3"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H14O3"],… | rdkit_pre_consensus from 'CC(C)COC(=O)C(C)O'; added: inchi2d_string, molecular_mass, monoisotopic_mass |
| 261,192 | consensus_match | altLabel | [] | [{"@value":"(+)-Isobutyl D-lactate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttribu… | group_key=2-methylpropyl-(r)-2-hydroxypropanoate||dimension=Environmental > media=Ground > geography=Unknown; cas=61597-96-4; added Common Chemistry CAS names as altLabel: (+)-Isobutyl D-lactate, (+)-Isobutyl lactate, (<em>R</em>)-(+)-Isobutyl lactate, (<em>R</em>)-(+)-Lactic acid isobutyl ester, (<em>R</em>)-Lactic acid isobutyl ester, 2-Methylpropyl (2R)-2-hydroxypropanoate, <span class="text-smallcaps">D</span>-Isobutyl lactate, Isobutyl (<em>R</em>)-2-hydroxypropionate, Isobutyl (<em>R</em>)-lactate, Propanoic acid, 2-hydroxy-, 2-methylpropyl ester, (2<em>R</em>)-, Propanoic acid, 2-hydroxy-, 2-methylpropyl ester, (<em>R</em>)-; object_uuid=fo-7f62d7bfbb9e8c81 |
| 261,193 | consensus_match | cas_match_labels | — | {"61597-96-4":"exactMatch"} | group_key=2-methylpropyl-(r)-2-hydroxypropanoate||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['pubchem']; cas_sources={'61597-96-4': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-7f62d7bfbb9e8c81: {'61597-96-4': 'exactMatch'} |
| 277,577 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H14O3"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H14O3"],… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '2-methylpropyl-(r)-2-hydroxypropanoate' |
| 284,273 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H14O3"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H14O3"],… | rdkit_post_consensus from 'CC(C)COC(=O)[C@@H](C)O'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 292,795 | dedupe_altlabels | altLabel | [{"@value":"(+)-Isobutyl D-lactate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttribu… | [{"@value":"(+)-Isobutyl D-lactate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttribu… | Deduplicated altLabel values and removed entries matching prefLabel |
| 338,733 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/6e457e28-9cc8-… | associations resolved on the elementary layer |
| 391,931 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H14O3"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H14O3"],… | typed the way the ontology types it |
| 400,182 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
| 400,183 | link_flows_to_their_substance | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H14O3"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H14O3"],… | 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/20260821T1302361922970000/14930 | prefLabel | ef:agent/bootstrap_labels | ef:flow/6e457e28-9cc8-4d11-834b-d2300e55e37b/v0 | ef:flow/6e457e28-9cc8-4d11-834b-d2300e55e37b/v1 |
| ef:activity/change/20260821T1302361922970000/14931 | name | ef:agent/bootstrap_labels | ef:flow/6e457e28-9cc8-4d11-834b-d2300e55e37b/v1 | ef:flow/6e457e28-9cc8-4d11-834b-d2300e55e37b/v2 |
| ef:activity/change/20260821T1302361922970000/14932 | synonyms | ef:agent/bootstrap_labels | ef:flow/6e457e28-9cc8-4d11-834b-d2300e55e37b/v2 | ef:flow/6e457e28-9cc8-4d11-834b-d2300e55e37b/v3 |
| ef:activity/change/20260821T1302361922970000/115468 | context | ef:agent/default_context_mapping | ef:flow/6e457e28-9cc8-4d11-834b-d2300e55e37b/v3 | ef:flow/6e457e28-9cc8-4d11-834b-d2300e55e37b/v4 |
| ef:activity/change/20260821T1302361922970000/115469 | context_iri | ef:agent/default_context_mapping | ef:flow/6e457e28-9cc8-4d11-834b-d2300e55e37b/v4 | ef:flow/6e457e28-9cc8-4d11-834b-d2300e55e37b/v5 |
| ef:activity/change/20260821T1302361922970000/218258 | unit_iri | ef:agent/unit_normalization | ef:flow/6e457e28-9cc8-4d11-834b-d2300e55e37b/v5 | ef:flow/6e457e28-9cc8-4d11-834b-d2300e55e37b/v6 |
| ef:activity/change/20260821T1302361922970000/241294 | properties | ef:agent/enrich_references | ef:flow/6e457e28-9cc8-4d11-834b-d2300e55e37b/v6 | ef:flow/6e457e28-9cc8-4d11-834b-d2300e55e37b/v7 |
| ef:activity/change/20260821T1302361922970000/241295 | skos_definition | ef:agent/enrich_references | ef:flow/6e457e28-9cc8-4d11-834b-d2300e55e37b/v7 | ef:flow/6e457e28-9cc8-4d11-834b-d2300e55e37b/v8 |
| ef:activity/change/20260821T1302361922970000/241296 | references | ef:agent/enrich_references | ef:flow/6e457e28-9cc8-4d11-834b-d2300e55e37b/v8 | ef:flow/6e457e28-9cc8-4d11-834b-d2300e55e37b/v9 |
| ef:activity/change/20260821T1302361922970000/252383 | properties | ef:agent/rdkit_pre_consensus | ef:flow/6e457e28-9cc8-4d11-834b-d2300e55e37b/v9 | ef:flow/6e457e28-9cc8-4d11-834b-d2300e55e37b/v10 |
| ef:activity/change/20260821T1302361922970000/261192 | altLabel | ef:agent/consensus_match | ef:flow/6e457e28-9cc8-4d11-834b-d2300e55e37b/v10 | ef:flow/6e457e28-9cc8-4d11-834b-d2300e55e37b/v11 |
| ef:activity/change/20260821T1302361922970000/261193 | cas_match_labels | ef:agent/consensus_match | ef:flow/6e457e28-9cc8-4d11-834b-d2300e55e37b/v11 | ef:flow/6e457e28-9cc8-4d11-834b-d2300e55e37b/v12 |
| ef:activity/change/20260821T1302361922970000/277577 | properties | ef:agent/opsin_iupac | ef:flow/6e457e28-9cc8-4d11-834b-d2300e55e37b/v12 | ef:flow/6e457e28-9cc8-4d11-834b-d2300e55e37b/v13 |
| ef:activity/change/20260821T1302361922970000/284273 | properties | ef:agent/rdkit_post_consensus | ef:flow/6e457e28-9cc8-4d11-834b-d2300e55e37b/v13 | ef:flow/6e457e28-9cc8-4d11-834b-d2300e55e37b/v14 |
| ef:activity/change/20260821T1302361922970000/292795 | altLabel | ef:agent/dedupe_altlabels | ef:flow/6e457e28-9cc8-4d11-834b-d2300e55e37b/v14 | ef:flow/6e457e28-9cc8-4d11-834b-d2300e55e37b/v15 |
| ef:activity/change/20260821T1302361922970000/338733 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/6e457e28-9cc8-4d11-834b-d2300e55e37b/v15 | ef:flow/6e457e28-9cc8-4d11-834b-d2300e55e37b/v16 |
| ef:activity/change/20260821T1302361922970000/391931 | properties | ef:agent/normalise_property_values | ef:flow/6e457e28-9cc8-4d11-834b-d2300e55e37b/v16 | ef:flow/6e457e28-9cc8-4d11-834b-d2300e55e37b/v17 |
| ef:activity/change/20260821T1302361922970000/400182 | types | ef:agent/link_flows_to_their_substance | ef:flow/6e457e28-9cc8-4d11-834b-d2300e55e37b/v17 | ef:flow/6e457e28-9cc8-4d11-834b-d2300e55e37b/v18 |
| ef:activity/change/20260821T1302361922970000/400183 | properties | ef:agent/link_flows_to_their_substance | ef:flow/6e457e28-9cc8-4d11-834b-d2300e55e37b/v18 | ef:flow/6e457e28-9cc8-4d11-834b-d2300e55e37b/v19 |