2,4-dihydroxy-n-(3-hydroxypropyl)-3,3-dimethylbutanamide
Everything that changed this flow. Back to the flow
019c7104-8a83-41b8-875c-833b324700f1
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 | 3 | chebi_altlabels, consensus_match, strip_catalogue_altlabels | Removed 2 catalogue altLabel value(s): 'Alcopan 250' (trade name), 'NSC 302962' (registry code) |
| cas_match_labels | 1 | consensus_match | group_key=2,4-dihydroxy-n-(3-hydroxypropyl)-3,3-dimethylbutanamide||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'81-13-0': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-fd28d0c15eec550a: {'81-13-0': '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 soil > Emissions to agricultural soil |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to agricultural soil |
| 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=['81-13-0']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_27373']; candidate_pubchem_cids=[4678, 131204, 131293, 5748487, 87339165]; selected_pubchem_cids=[131204]; 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
20| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 1,367 | bootstrap_labels | prefLabel | — | [{"@value":"2,4-dihydroxy-n-(3-hydroxypropyl)-3,3-dimethylbutanamide","@language":"en","source":{"prov:wasGeneratedBy":… | Bootstrapped prefLabel from legacy name field |
| 1,368 | bootstrap_labels | name | 2,4-dihydroxy-n-(3-hydroxypropyl)-3,3-dimethylbutanamide | — | Purged legacy name field to enforce prefLabel usage |
| 1,369 | bootstrap_labels | synonyms | ["organic","dexpanthenol","d-pantothenylalcohol","dexpanthenol(inn)","pantothenol","provitaminb5"] | [] | Removed legacy synonyms field in favor of structured labels |
| 26,846 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Ground","geography":"Agricultural"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to agricultural soil |
| 26,847 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-grou-agri | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to agricultural soil |
| 213,791 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 228,491 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H19NO4"]… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 228,492 | enrich_references | skos_definition | — | [{"@value":"A monocarboxylic acid amide that is 3,3-dimethylbutanamide substituted by hydroxy groups at positions 2 and… | Merged ChEBI/PubChem definitions into skos:definition |
| 228,493 | enrich_references | references | [] | [{"@id":"drugcentral:838","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedTo":"c… | Added references with provenance; cas_numbers=['81-13-0']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_27373']; candidate_pubchem_cids=[4678, 131204, 131293, 5748487, 87339165]; selected_pubchem_cids=[131204]; 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 |
| 248,694 | 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: inchi2d_string, monoisotopic_mass |
| 254,536 | chebi_altlabels | altLabel | [] | [{"@value":"(+)-Panthenol","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"c… | Added 29 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 259,948 | consensus_match | altLabel | [{"@value":"(+)-Panthenol","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"c… | [{"@value":"(+)-Panthenol","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"c… | group_key=2,4-dihydroxy-n-(3-hydroxypropyl)-3,3-dimethylbutanamide||dimension=Environmental > media=Ground > geography=Agricultural; cas=81-13-0; added Common Chemistry CAS names as altLabel: <em>D</em>(+)-2,4-Dihydroxy-<em>N</em>-(3-hydroxypropyl)-3,3-dimethylbutyramide, <em>D</em>(+)-α,γ-Dihydroxy-<em>N</em>-(3-hydroxypropyl)-β,β-dimethylbutyramide, <em>d</em>-Panthenol 50, <span class="text-smallcaps">D</span>-Panthenol Care, Alcopan 250, Butanamide, 2,4-dihydroxy-<em>N</em>-(3-hydroxypropyl)-3,3-dimethyl-, (2<em>R</em>)-, Butanamide, 2,4-dihydroxy-<em>N</em>-(3-hydroxypropyl)-3,3-dimethyl-, (<em>R</em>)-, Butyramide, 2,4-dihydroxy-<em>N</em>-(3-hydroxypropyl)-3,3-dimethyl-, <span class="text-smallcaps">D</span>-(+)-, Corneregel, Cornergel, D-Panthenol 75L, Dolobene, Intrapan, NSC 302962, Pantenyl, Panthenol 50W, Panthenol, (+)-, Pantogel, Propanolamine, <em>N</em>-pantoyl-, Provitamin B<sub>5</sub>, Urupan; object_uuid=fo-fd28d0c15eec550a |
| 259,949 | consensus_match | cas_match_labels | — | {"81-13-0":"exactMatch"} | group_key=2,4-dihydroxy-n-(3-hydroxypropyl)-3,3-dimethylbutanamide||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'81-13-0': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-fd28d0c15eec550a: {'81-13-0': 'exactMatch'} |
| 273,815 | 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 '(+)-Panthenol' |
| 280,198 | 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@@H](O)C(=O)NCCCO'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 287,525 | strip_catalogue_altlabels | altLabel | [{"@value":"(+)-Panthenol","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"c… | [{"@value":"(+)-Panthenol","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"c… | Removed 2 catalogue altLabel value(s): 'Alcopan 250' (trade name), 'NSC 302962' (registry code) |
| 294,460 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/019c7104-8a83-… | associations resolved on the elementary layer |
| 388,094 | 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 |
| 394,693 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
| 394,694 | link_flows_to_their_substance | 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"]… | the substance's answer, copied onto its flow |
PROV-O trail
20 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/20260820T1812399309960000/1367 | prefLabel | ef:agent/bootstrap_labels | ef:flow/019c7104-8a83-41b8-875c-833b324700f1/v0 | ef:flow/019c7104-8a83-41b8-875c-833b324700f1/v1 |
| ef:activity/change/20260820T1812399309960000/1368 | name | ef:agent/bootstrap_labels | ef:flow/019c7104-8a83-41b8-875c-833b324700f1/v1 | ef:flow/019c7104-8a83-41b8-875c-833b324700f1/v2 |
| ef:activity/change/20260820T1812399309960000/1369 | synonyms | ef:agent/bootstrap_labels | ef:flow/019c7104-8a83-41b8-875c-833b324700f1/v2 | ef:flow/019c7104-8a83-41b8-875c-833b324700f1/v3 |
| ef:activity/change/20260820T1812399309960000/26846 | context | ef:agent/default_context_mapping | ef:flow/019c7104-8a83-41b8-875c-833b324700f1/v3 | ef:flow/019c7104-8a83-41b8-875c-833b324700f1/v4 |
| ef:activity/change/20260820T1812399309960000/26847 | context_iri | ef:agent/default_context_mapping | ef:flow/019c7104-8a83-41b8-875c-833b324700f1/v4 | ef:flow/019c7104-8a83-41b8-875c-833b324700f1/v5 |
| ef:activity/change/20260820T1812399309960000/213791 | unit_iri | ef:agent/unit_normalization | ef:flow/019c7104-8a83-41b8-875c-833b324700f1/v5 | ef:flow/019c7104-8a83-41b8-875c-833b324700f1/v6 |
| ef:activity/change/20260820T1812399309960000/228491 | properties | ef:agent/enrich_references | ef:flow/019c7104-8a83-41b8-875c-833b324700f1/v6 | ef:flow/019c7104-8a83-41b8-875c-833b324700f1/v7 |
| ef:activity/change/20260820T1812399309960000/228492 | skos_definition | ef:agent/enrich_references | ef:flow/019c7104-8a83-41b8-875c-833b324700f1/v7 | ef:flow/019c7104-8a83-41b8-875c-833b324700f1/v8 |
| ef:activity/change/20260820T1812399309960000/228493 | references | ef:agent/enrich_references | ef:flow/019c7104-8a83-41b8-875c-833b324700f1/v8 | ef:flow/019c7104-8a83-41b8-875c-833b324700f1/v9 |
| ef:activity/change/20260820T1812399309960000/248694 | properties | ef:agent/rdkit_pre_consensus | ef:flow/019c7104-8a83-41b8-875c-833b324700f1/v9 | ef:flow/019c7104-8a83-41b8-875c-833b324700f1/v10 |
| ef:activity/change/20260820T1812399309960000/254536 | altLabel | ef:agent/chebi_altlabels | ef:flow/019c7104-8a83-41b8-875c-833b324700f1/v10 | ef:flow/019c7104-8a83-41b8-875c-833b324700f1/v11 |
| ef:activity/change/20260820T1812399309960000/259948 | altLabel | ef:agent/consensus_match | ef:flow/019c7104-8a83-41b8-875c-833b324700f1/v11 | ef:flow/019c7104-8a83-41b8-875c-833b324700f1/v12 |
| ef:activity/change/20260820T1812399309960000/259949 | cas_match_labels | ef:agent/consensus_match | ef:flow/019c7104-8a83-41b8-875c-833b324700f1/v12 | ef:flow/019c7104-8a83-41b8-875c-833b324700f1/v13 |
| ef:activity/change/20260820T1812399309960000/273815 | properties | ef:agent/opsin_iupac | ef:flow/019c7104-8a83-41b8-875c-833b324700f1/v13 | ef:flow/019c7104-8a83-41b8-875c-833b324700f1/v14 |
| ef:activity/change/20260820T1812399309960000/280198 | properties | ef:agent/rdkit_post_consensus | ef:flow/019c7104-8a83-41b8-875c-833b324700f1/v14 | ef:flow/019c7104-8a83-41b8-875c-833b324700f1/v15 |
| ef:activity/change/20260820T1812399309960000/287525 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/019c7104-8a83-41b8-875c-833b324700f1/v15 | ef:flow/019c7104-8a83-41b8-875c-833b324700f1/v16 |
| ef:activity/change/20260820T1812399309960000/294460 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/019c7104-8a83-41b8-875c-833b324700f1/v16 | ef:flow/019c7104-8a83-41b8-875c-833b324700f1/v17 |
| ef:activity/change/20260820T1812399309960000/388094 | properties | ef:agent/normalise_property_values | ef:flow/019c7104-8a83-41b8-875c-833b324700f1/v17 | ef:flow/019c7104-8a83-41b8-875c-833b324700f1/v18 |
| ef:activity/change/20260820T1812399309960000/394693 | types | ef:agent/link_flows_to_their_substance | ef:flow/019c7104-8a83-41b8-875c-833b324700f1/v18 | ef:flow/019c7104-8a83-41b8-875c-833b324700f1/v19 |
| ef:activity/change/20260820T1812399309960000/394694 | properties | ef:agent/link_flows_to_their_substance | ef:flow/019c7104-8a83-41b8-875c-833b324700f1/v19 | ef:flow/019c7104-8a83-41b8-875c-833b324700f1/v20 |