2,4-dihydroxy-n-(3-hydroxypropyl)-3,3-dimethylbutanamide
Everything that changed this flow. Back to the flow
f6f03e17-6527-41d3-9606-072a52c25762
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, dedupe_altlabels | Deduplicated altLabel values and removed entries matching prefLabel |
| cas_match_labels | 1 | consensus_match | group_key=2,4-dihydroxy-n-(3-hydroxypropyl)-3,3-dimethylbutanamide||dimension=Environmental > media=Air > strata=Unknown; group_sources=['ec_inventory']; cas_sources={'16485-10-2': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-a0ee29ac28d280f1: {'16485-10-2': '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 air, indoor |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, indoor |
| 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=['16485-10-2']; matched_chebi_ids=[]; candidate_pubchem_cids=[4678, 131204, 10154063]; selected_pubchem_cids=[4678]; 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
18| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 14,402 | bootstrap_labels | prefLabel | — | [{"@value":"2,4-dihydroxy-n-(3-hydroxypropyl)-3,3-dimethylbutanamide","@language":"en","source":{"prov:wasGeneratedBy":… | Bootstrapped prefLabel from legacy name field |
| 14,403 | bootstrap_labels | name | 2,4-dihydroxy-n-(3-hydroxypropyl)-3,3-dimethylbutanamide | — | Purged legacy name field to enforce prefLabel usage |
| 14,404 | bootstrap_labels | synonyms | ["organic","panthenol,dl-form"] | [] | Removed legacy synonyms field in favor of structured labels |
| 198,140 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","indoor":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, indoor |
| 198,141 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-indr-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, indoor |
| 218,094 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 240,817 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H19NO4"]… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 240,818 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 240,819 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J321.113D","provenance":{"prov:wasGeneratedBy":"enrich_referen… | Added references with provenance; cas_numbers=['16485-10-2']; matched_chebi_ids=[]; candidate_pubchem_cids=[4678, 131204, 10154063]; selected_pubchem_cids=[4678]; 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 |
| 252,243 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H19NO4"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H19NO4"]… | rdkit_pre_consensus from 'CC(C)(CO)C(C(=O)NCCCO)O'; added: molecular_mass, monoisotopic_mass |
| 259,950 | consensus_match | altLabel | [] | [{"@value":"(±)-2,4-Dihydroxy-<em>N</em>-(3-hydroxypropyl)-3,3-dimethylbutyramide","@language":"en","source":{"prov:was… | group_key=2,4-dihydroxy-n-(3-hydroxypropyl)-3,3-dimethylbutanamide||dimension=Environmental > media=Air > strata=Unknown; cas=16485-10-2; added Common Chemistry CAS names as altLabel: (±)-2,4-Dihydroxy-<em>N</em>-(3-hydroxypropyl)-3,3-dimethylbutyramide, 2,4-Dihydroxy-<em>N</em>-(3-hydroxypropyl)-3,3-dimethylbutyramide, <span class="text-smallcaps">DL</span>-Panthenol, <span class="text-smallcaps">DL</span>-Pantothenol, <span class="text-smallcaps">DL</span>-Pantothenyl alcohol, Butanamide, 2,4-dihydroxy-<em>N</em>-(3-hydroxypropyl)-3,3-dimethyl-, Butanamide, 2,4-dihydroxy-<em>N</em>-(3-hydroxypropyl)-3,3-dimethyl-, (±)-, Butyramide, 2,4-dihydroxy-<em>N</em>-(3-hydroxypropyl)-3,3-dimethyl-, (±)-, Butyramide, α,γ-dihydroxy-<em>N</em>-(3-hydroxypropyl)-β,β-dimethyl-, Ritapan DL; object_uuid=fo-a0ee29ac28d280f1 |
| 259,951 | consensus_match | cas_match_labels | — | {"16485-10-2":"exactMatch"} | group_key=2,4-dihydroxy-n-(3-hydroxypropyl)-3,3-dimethylbutanamide||dimension=Environmental > media=Air > strata=Unknown; group_sources=['ec_inventory']; cas_sources={'16485-10-2': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-a0ee29ac28d280f1: {'16485-10-2': 'exactMatch'} |
| 277,436 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H19NO4"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H19NO4"]… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '(±)-2,4-Dihydroxy-N-(3-hydroxypropyl)-3,3-dimethylbutyramide' |
| 284,120 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H19NO4"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H19NO4"]… | rdkit_post_consensus from 'CC(C)(CO)C(O)C(=O)NCCCO'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 292,757 | dedupe_altlabels | altLabel | [{"@value":"(±)-2,4-Dihydroxy-<em>N</em>-(3-hydroxypropyl)-3,3-dimethylbutyramide","@language":"en","source":{"prov:was… | [{"@value":"(±)-2,4-Dihydroxy-N-(3-hydroxypropyl)-3,3-dimethylbutyramide","@language":"en","source":{"prov:wasGenerated… | Deduplicated altLabel values and removed entries matching prefLabel |
| 380,102 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/f6f03e17-6527-… | associations resolved on the elementary layer |
| 391,789 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H19NO4"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H19NO4"]… | typed the way the ontology types it |
| 399,981 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
PROV-O trail
18 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/20260821T1122181958110000/14402 | prefLabel | ef:agent/bootstrap_labels | ef:flow/f6f03e17-6527-41d3-9606-072a52c25762/v0 | ef:flow/f6f03e17-6527-41d3-9606-072a52c25762/v1 |
| ef:activity/change/20260821T1122181958110000/14403 | name | ef:agent/bootstrap_labels | ef:flow/f6f03e17-6527-41d3-9606-072a52c25762/v1 | ef:flow/f6f03e17-6527-41d3-9606-072a52c25762/v2 |
| ef:activity/change/20260821T1122181958110000/14404 | synonyms | ef:agent/bootstrap_labels | ef:flow/f6f03e17-6527-41d3-9606-072a52c25762/v2 | ef:flow/f6f03e17-6527-41d3-9606-072a52c25762/v3 |
| ef:activity/change/20260821T1122181958110000/198140 | context | ef:agent/default_context_mapping | ef:flow/f6f03e17-6527-41d3-9606-072a52c25762/v3 | ef:flow/f6f03e17-6527-41d3-9606-072a52c25762/v4 |
| ef:activity/change/20260821T1122181958110000/198141 | context_iri | ef:agent/default_context_mapping | ef:flow/f6f03e17-6527-41d3-9606-072a52c25762/v4 | ef:flow/f6f03e17-6527-41d3-9606-072a52c25762/v5 |
| ef:activity/change/20260821T1122181958110000/218094 | unit_iri | ef:agent/unit_normalization | ef:flow/f6f03e17-6527-41d3-9606-072a52c25762/v5 | ef:flow/f6f03e17-6527-41d3-9606-072a52c25762/v6 |
| ef:activity/change/20260821T1122181958110000/240817 | properties | ef:agent/enrich_references | ef:flow/f6f03e17-6527-41d3-9606-072a52c25762/v6 | ef:flow/f6f03e17-6527-41d3-9606-072a52c25762/v7 |
| ef:activity/change/20260821T1122181958110000/240818 | skos_definition | ef:agent/enrich_references | ef:flow/f6f03e17-6527-41d3-9606-072a52c25762/v7 | ef:flow/f6f03e17-6527-41d3-9606-072a52c25762/v8 |
| ef:activity/change/20260821T1122181958110000/240819 | references | ef:agent/enrich_references | ef:flow/f6f03e17-6527-41d3-9606-072a52c25762/v8 | ef:flow/f6f03e17-6527-41d3-9606-072a52c25762/v9 |
| ef:activity/change/20260821T1122181958110000/252243 | properties | ef:agent/rdkit_pre_consensus | ef:flow/f6f03e17-6527-41d3-9606-072a52c25762/v9 | ef:flow/f6f03e17-6527-41d3-9606-072a52c25762/v10 |
| ef:activity/change/20260821T1122181958110000/259950 | altLabel | ef:agent/consensus_match | ef:flow/f6f03e17-6527-41d3-9606-072a52c25762/v10 | ef:flow/f6f03e17-6527-41d3-9606-072a52c25762/v11 |
| ef:activity/change/20260821T1122181958110000/259951 | cas_match_labels | ef:agent/consensus_match | ef:flow/f6f03e17-6527-41d3-9606-072a52c25762/v11 | ef:flow/f6f03e17-6527-41d3-9606-072a52c25762/v12 |
| ef:activity/change/20260821T1122181958110000/277436 | properties | ef:agent/opsin_iupac | ef:flow/f6f03e17-6527-41d3-9606-072a52c25762/v12 | ef:flow/f6f03e17-6527-41d3-9606-072a52c25762/v13 |
| ef:activity/change/20260821T1122181958110000/284120 | properties | ef:agent/rdkit_post_consensus | ef:flow/f6f03e17-6527-41d3-9606-072a52c25762/v13 | ef:flow/f6f03e17-6527-41d3-9606-072a52c25762/v14 |
| ef:activity/change/20260821T1122181958110000/292757 | altLabel | ef:agent/dedupe_altlabels | ef:flow/f6f03e17-6527-41d3-9606-072a52c25762/v14 | ef:flow/f6f03e17-6527-41d3-9606-072a52c25762/v15 |
| ef:activity/change/20260821T1122181958110000/380102 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/f6f03e17-6527-41d3-9606-072a52c25762/v15 | ef:flow/f6f03e17-6527-41d3-9606-072a52c25762/v16 |
| ef:activity/change/20260821T1122181958110000/391789 | properties | ef:agent/normalise_property_values | ef:flow/f6f03e17-6527-41d3-9606-072a52c25762/v16 | ef:flow/f6f03e17-6527-41d3-9606-072a52c25762/v17 |
| ef:activity/change/20260821T1122181958110000/399981 | types | ef:agent/link_flows_to_their_substance | ef:flow/f6f03e17-6527-41d3-9606-072a52c25762/v17 | ef:flow/f6f03e17-6527-41d3-9606-072a52c25762/v18 |