3-hydroxy-2-(hydroxymethyl)-2-methylpropanal
Everything that changed this flow. Back to the flow
6763a498-3436-4999-931b-daa8dc80ce60
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 | 1 | consensus_match | group_key=3-hydroxy-2-(hydroxymethyl)-2-methylpropanal||dimension=Environmental > media=Water > water_body=Surface water; cas=18516-18-2; added Common Chemistry CAS names as altLabel: 2,2-Bis(hydroxymethyl)propanal, 2,2-Bis(hydroxymethyl)propionaldehyde, 2,2-Dihydroxymethylpropionaldehyde, 2,2-Dimethylolpropanal, 2,2-Dimethylolpropionaldehyde, 3-Hydroxy-2-hydroxymethyl-2-methylpropanal, Propanal, 3-hydroxy-2-(hydroxymethyl)-2-methyl-, Propionaldehyde, 2,2-bis(hydroxymethyl)-; object_uuid=fo-2dc7f0d69bd9c52d |
| cas_match_labels | 1 | consensus_match | group_key=3-hydroxy-2-(hydroxymethyl)-2-methylpropanal||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['ec_inventory', 'pubchem']; cas_sources={'18516-18-2': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-2dc7f0d69bd9c52d: {'18516-18-2': '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 |
| prefLabel | 1 | bootstrap_labels | Bootstrapped prefLabel from legacy name field |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['18516-18-2']; matched_chebi_ids=[]; candidate_pubchem_cids=[87688, 728670]; selected_pubchem_cids=[87688]; 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
17| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 14,027 | bootstrap_labels | prefLabel | — | [{"@value":"3-hydroxy-2-(hydroxymethyl)-2-methylpropanal","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_l… | Bootstrapped prefLabel from legacy name field |
| 14,028 | bootstrap_labels | name | 3-hydroxy-2-(hydroxymethyl)-2-methylpropanal | — | Purged legacy name field to enforce prefLabel usage |
| 14,029 | bootstrap_labels | synonyms | ["organic","3-hydroxy-2-(hydroxymethyl)-2-methylpropionaldehyde"] | [] | Removed legacy synonyms field in favor of structured labels |
| 111,350 | 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 |
| 111,351 | 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 |
| 217,972 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 240,464 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H10O3"],… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 240,465 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 240,466 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J222.230B","provenance":{"prov:wasGeneratedBy":"enrich_referen… | Added references with provenance; cas_numbers=['18516-18-2']; matched_chebi_ids=[]; candidate_pubchem_cids=[87688, 728670]; selected_pubchem_cids=[87688]; 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 |
| 252,141 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H10O3"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H10O3"],… | rdkit_pre_consensus from 'CC(CO)(CO)C=O'; added: molecular_mass, monoisotopic_mass |
| 262,014 | consensus_match | altLabel | [] | [{"@value":"2,2-Bis(hydroxymethyl)propanal","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wa… | group_key=3-hydroxy-2-(hydroxymethyl)-2-methylpropanal||dimension=Environmental > media=Water > water_body=Surface water; cas=18516-18-2; added Common Chemistry CAS names as altLabel: 2,2-Bis(hydroxymethyl)propanal, 2,2-Bis(hydroxymethyl)propionaldehyde, 2,2-Dihydroxymethylpropionaldehyde, 2,2-Dimethylolpropanal, 2,2-Dimethylolpropionaldehyde, 3-Hydroxy-2-hydroxymethyl-2-methylpropanal, Propanal, 3-hydroxy-2-(hydroxymethyl)-2-methyl-, Propionaldehyde, 2,2-bis(hydroxymethyl)-; object_uuid=fo-2dc7f0d69bd9c52d |
| 262,015 | consensus_match | cas_match_labels | — | {"18516-18-2":"exactMatch"} | group_key=3-hydroxy-2-(hydroxymethyl)-2-methylpropanal||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['ec_inventory', 'pubchem']; cas_sources={'18516-18-2': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-2dc7f0d69bd9c52d: {'18516-18-2': 'exactMatch'} |
| 277,334 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H10O3"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H10O3"],… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '3-hydroxy-2-(hydroxymethyl)-2-methylpropanal' |
| 284,011 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H10O3"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H10O3"],… | rdkit_post_consensus from 'CC(C=O)(CO)CO'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 336,674 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/6763a498-3436-… | associations resolved on the elementary layer |
| 391,692 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H10O3"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H10O3"],… | typed the way the ontology types it |
| 399,835 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
PROV-O trail
17 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/20260821T1554374006150000/14027 | prefLabel | ef:agent/bootstrap_labels | ef:flow/6763a498-3436-4999-931b-daa8dc80ce60/v0 | ef:flow/6763a498-3436-4999-931b-daa8dc80ce60/v1 |
| ef:activity/change/20260821T1554374006150000/14028 | name | ef:agent/bootstrap_labels | ef:flow/6763a498-3436-4999-931b-daa8dc80ce60/v1 | ef:flow/6763a498-3436-4999-931b-daa8dc80ce60/v2 |
| ef:activity/change/20260821T1554374006150000/14029 | synonyms | ef:agent/bootstrap_labels | ef:flow/6763a498-3436-4999-931b-daa8dc80ce60/v2 | ef:flow/6763a498-3436-4999-931b-daa8dc80ce60/v3 |
| ef:activity/change/20260821T1554374006150000/111350 | context | ef:agent/default_context_mapping | ef:flow/6763a498-3436-4999-931b-daa8dc80ce60/v3 | ef:flow/6763a498-3436-4999-931b-daa8dc80ce60/v4 |
| ef:activity/change/20260821T1554374006150000/111351 | context_iri | ef:agent/default_context_mapping | ef:flow/6763a498-3436-4999-931b-daa8dc80ce60/v4 | ef:flow/6763a498-3436-4999-931b-daa8dc80ce60/v5 |
| ef:activity/change/20260821T1554374006150000/217972 | unit_iri | ef:agent/unit_normalization | ef:flow/6763a498-3436-4999-931b-daa8dc80ce60/v5 | ef:flow/6763a498-3436-4999-931b-daa8dc80ce60/v6 |
| ef:activity/change/20260821T1554374006150000/240464 | properties | ef:agent/enrich_references | ef:flow/6763a498-3436-4999-931b-daa8dc80ce60/v6 | ef:flow/6763a498-3436-4999-931b-daa8dc80ce60/v7 |
| ef:activity/change/20260821T1554374006150000/240465 | skos_definition | ef:agent/enrich_references | ef:flow/6763a498-3436-4999-931b-daa8dc80ce60/v7 | ef:flow/6763a498-3436-4999-931b-daa8dc80ce60/v8 |
| ef:activity/change/20260821T1554374006150000/240466 | references | ef:agent/enrich_references | ef:flow/6763a498-3436-4999-931b-daa8dc80ce60/v8 | ef:flow/6763a498-3436-4999-931b-daa8dc80ce60/v9 |
| ef:activity/change/20260821T1554374006150000/252141 | properties | ef:agent/rdkit_pre_consensus | ef:flow/6763a498-3436-4999-931b-daa8dc80ce60/v9 | ef:flow/6763a498-3436-4999-931b-daa8dc80ce60/v10 |
| ef:activity/change/20260821T1554374006150000/262014 | altLabel | ef:agent/consensus_match | ef:flow/6763a498-3436-4999-931b-daa8dc80ce60/v10 | ef:flow/6763a498-3436-4999-931b-daa8dc80ce60/v11 |
| ef:activity/change/20260821T1554374006150000/262015 | cas_match_labels | ef:agent/consensus_match | ef:flow/6763a498-3436-4999-931b-daa8dc80ce60/v11 | ef:flow/6763a498-3436-4999-931b-daa8dc80ce60/v12 |
| ef:activity/change/20260821T1554374006150000/277334 | properties | ef:agent/opsin_iupac | ef:flow/6763a498-3436-4999-931b-daa8dc80ce60/v12 | ef:flow/6763a498-3436-4999-931b-daa8dc80ce60/v13 |
| ef:activity/change/20260821T1554374006150000/284011 | properties | ef:agent/rdkit_post_consensus | ef:flow/6763a498-3436-4999-931b-daa8dc80ce60/v13 | ef:flow/6763a498-3436-4999-931b-daa8dc80ce60/v14 |
| ef:activity/change/20260821T1554374006150000/336674 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/6763a498-3436-4999-931b-daa8dc80ce60/v14 | ef:flow/6763a498-3436-4999-931b-daa8dc80ce60/v15 |
| ef:activity/change/20260821T1554374006150000/391692 | properties | ef:agent/normalise_property_values | ef:flow/6763a498-3436-4999-931b-daa8dc80ce60/v15 | ef:flow/6763a498-3436-4999-931b-daa8dc80ce60/v16 |
| ef:activity/change/20260821T1554374006150000/399835 | types | ef:agent/link_flows_to_their_substance | ef:flow/6763a498-3436-4999-931b-daa8dc80ce60/v16 | ef:flow/6763a498-3436-4999-931b-daa8dc80ce60/v17 |