Docosan-1-ol
Everything that changed this flow. Back to the flow
3db5fd85-0ae9-4328-8ce0-f01c67a21d8b
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 | 3 | chebi_altlabels, consensus_match, strip_catalogue_altlabels | Removed 13 catalogue altLabel value(s): 'Conol 2265' (trade name), 'Conol 2280' (trade name), 'Ginol 2298' (trade name), 'IK 2' (grade code), 'IK 2 (alcohol)' (grade code), 'Kalcohl 220' (trade name), 'Kalcohl 22080' (trade name), 'Kalcol 22080' (trade name), 'NAA 422' (grade code), 'NSC 8407' (registry code), 'Stenol 1822' (trade name), 'Stenol 1822A' (trade name), 'Vegarol 2280' (trade name) |
| 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=docosan-1-ol||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'661-19-8': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-4cb836698412993a: {'661-19-8': '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 fresh water |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to fresh water |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['661-19-8']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_31000']; candidate_pubchem_cids=[12620, 81093]; selected_pubchem_cids=[12620]; 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 |
|---|---|---|---|---|---|
| 4,440 | bootstrap_labels | prefLabel | — | [{"@value":"docosan-1-ol","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"c… | Bootstrapped prefLabel from legacy name field |
| 4,441 | bootstrap_labels | name | docosan-1-ol | — | Purged legacy name field to enforce prefLabel usage |
| 4,442 | bootstrap_labels | synonyms | ["organic","docosan-1-ol","nacol22","nafol1822","nafol2024othernames1-docosanol"] | [] | Removed legacy synonyms field in favor of structured labels |
| 77,244 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Surface water"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to fresh water |
| 77,245 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-suwa | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to fresh water |
| 214,822 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 222,112 | normalize_name_case | prefLabel | [{"@value":"docosan-1-ol","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"c… | [{"@value":"Docosan-1-ol","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"c… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 231,450 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C22H46O"],… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 231,451 | enrich_references | skos_definition | — | [{"@value":"A long-chain primary fatty alcohol that is docosane substituted by a hydroxy group at position 1. It is a n… | Merged ChEBI/PubChem definitions into skos:definition |
| 231,452 | enrich_references | references | [] | [{"@id":"drugcentral:940","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedTo":"c… | Added references with provenance; cas_numbers=['661-19-8']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_31000']; candidate_pubchem_cids=[12620, 81093]; selected_pubchem_cids=[12620]; 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 |
| 249,546 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C22H46O"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C22H46O"],… | rdkit_pre_consensus from 'CCCCCCCCCCCCCCCCCCCCCCO'; added: monoisotopic_mass |
| 254,936 | chebi_altlabels | altLabel | [] | [{"@value":"1-docosanol","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"con… | Added 8 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 266,578 | consensus_match | altLabel | [{"@value":"1-docosanol","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"con… | [{"@value":"1-docosanol","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"con… | group_key=docosan-1-ol||dimension=Environmental > media=Water > water_body=Unknown; cas=661-19-8; added Common Chemistry CAS names as altLabel: 1-Docosonol, Behenyl 80 Alcohol, Behenyl alc. 80, Behenyl alcohol 65, Conol 2265, Conol 2280, Ginol 22, Ginol 2298, Hainol 22S, IK 2, IK 2 (alcohol), Kalcohl 220, Kalcohl 22080, Kalcol 22080, Kalkol 220-80, Lanette 22, Lanette 22NF, NAA 422, NSC 8407, Nacol 22-97, Nacol 22-98, Nacol C 22, Nikkol Behenyl Alcohol 65, Nikkol Behenyl Alcohol 80, Ranette 22, Stenol 1822, Stenol 1822A, Toho BH 65, Vegarol 2280; object_uuid=fo-4cb836698412993a |
| 266,579 | consensus_match | cas_match_labels | — | {"661-19-8":"exactMatch"} | group_key=docosan-1-ol||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'661-19-8': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-4cb836698412993a: {'661-19-8': 'exactMatch'} |
| 274,676 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C22H46O"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C22H46O"],… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Docosan-1-ol' |
| 281,136 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C22H46O"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C22H46O"],… | rdkit_post_consensus from 'CCCCCCCCCCCCCCCCCCCCCCO'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 288,157 | strip_catalogue_altlabels | altLabel | [{"@value":"1-docosanol","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"con… | [{"@value":"1-docosanol","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"con… | Removed 13 catalogue altLabel value(s): 'Conol 2265' (trade name), 'Conol 2280' (trade name), 'Ginol 2298' (trade name), 'IK 2' (grade code), 'IK 2 (alcohol)' (grade code), 'Kalcohl 220' (trade name), 'Kalcohl 22080' (trade name), 'Kalcol 22080' (trade name), 'NAA 422' (grade code), 'NSC 8407' (registry code), 'Stenol 1822' (trade name), 'Stenol 1822A' (trade name), 'Vegarol 2280' (trade name) |
| 319,637 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/3db5fd85-0ae9-… | associations resolved on the elementary layer |
| 388,984 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C22H46O"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C22H46O"],… | typed the way the ontology types it |
| 395,946 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | 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/20260822T0600486828500000/4440 | prefLabel | ef:agent/bootstrap_labels | ef:flow/3db5fd85-0ae9-4328-8ce0-f01c67a21d8b/v0 | ef:flow/3db5fd85-0ae9-4328-8ce0-f01c67a21d8b/v1 |
| ef:activity/change/20260822T0600486828500000/4441 | name | ef:agent/bootstrap_labels | ef:flow/3db5fd85-0ae9-4328-8ce0-f01c67a21d8b/v1 | ef:flow/3db5fd85-0ae9-4328-8ce0-f01c67a21d8b/v2 |
| ef:activity/change/20260822T0600486828500000/4442 | synonyms | ef:agent/bootstrap_labels | ef:flow/3db5fd85-0ae9-4328-8ce0-f01c67a21d8b/v2 | ef:flow/3db5fd85-0ae9-4328-8ce0-f01c67a21d8b/v3 |
| ef:activity/change/20260822T0600486828500000/77244 | context | ef:agent/default_context_mapping | ef:flow/3db5fd85-0ae9-4328-8ce0-f01c67a21d8b/v3 | ef:flow/3db5fd85-0ae9-4328-8ce0-f01c67a21d8b/v4 |
| ef:activity/change/20260822T0600486828500000/77245 | context_iri | ef:agent/default_context_mapping | ef:flow/3db5fd85-0ae9-4328-8ce0-f01c67a21d8b/v4 | ef:flow/3db5fd85-0ae9-4328-8ce0-f01c67a21d8b/v5 |
| ef:activity/change/20260822T0600486828500000/214822 | unit_iri | ef:agent/unit_normalization | ef:flow/3db5fd85-0ae9-4328-8ce0-f01c67a21d8b/v5 | ef:flow/3db5fd85-0ae9-4328-8ce0-f01c67a21d8b/v6 |
| ef:activity/change/20260822T0600486828500000/222112 | prefLabel | ef:agent/normalize_name_case | ef:flow/3db5fd85-0ae9-4328-8ce0-f01c67a21d8b/v6 | ef:flow/3db5fd85-0ae9-4328-8ce0-f01c67a21d8b/v7 |
| ef:activity/change/20260822T0600486828500000/231450 | properties | ef:agent/enrich_references | ef:flow/3db5fd85-0ae9-4328-8ce0-f01c67a21d8b/v7 | ef:flow/3db5fd85-0ae9-4328-8ce0-f01c67a21d8b/v8 |
| ef:activity/change/20260822T0600486828500000/231451 | skos_definition | ef:agent/enrich_references | ef:flow/3db5fd85-0ae9-4328-8ce0-f01c67a21d8b/v8 | ef:flow/3db5fd85-0ae9-4328-8ce0-f01c67a21d8b/v9 |
| ef:activity/change/20260822T0600486828500000/231452 | references | ef:agent/enrich_references | ef:flow/3db5fd85-0ae9-4328-8ce0-f01c67a21d8b/v9 | ef:flow/3db5fd85-0ae9-4328-8ce0-f01c67a21d8b/v10 |
| ef:activity/change/20260822T0600486828500000/249546 | properties | ef:agent/rdkit_pre_consensus | ef:flow/3db5fd85-0ae9-4328-8ce0-f01c67a21d8b/v10 | ef:flow/3db5fd85-0ae9-4328-8ce0-f01c67a21d8b/v11 |
| ef:activity/change/20260822T0600486828500000/254936 | altLabel | ef:agent/chebi_altlabels | ef:flow/3db5fd85-0ae9-4328-8ce0-f01c67a21d8b/v11 | ef:flow/3db5fd85-0ae9-4328-8ce0-f01c67a21d8b/v12 |
| ef:activity/change/20260822T0600486828500000/266578 | altLabel | ef:agent/consensus_match | ef:flow/3db5fd85-0ae9-4328-8ce0-f01c67a21d8b/v12 | ef:flow/3db5fd85-0ae9-4328-8ce0-f01c67a21d8b/v13 |
| ef:activity/change/20260822T0600486828500000/266579 | cas_match_labels | ef:agent/consensus_match | ef:flow/3db5fd85-0ae9-4328-8ce0-f01c67a21d8b/v13 | ef:flow/3db5fd85-0ae9-4328-8ce0-f01c67a21d8b/v14 |
| ef:activity/change/20260822T0600486828500000/274676 | properties | ef:agent/opsin_iupac | ef:flow/3db5fd85-0ae9-4328-8ce0-f01c67a21d8b/v14 | ef:flow/3db5fd85-0ae9-4328-8ce0-f01c67a21d8b/v15 |
| ef:activity/change/20260822T0600486828500000/281136 | properties | ef:agent/rdkit_post_consensus | ef:flow/3db5fd85-0ae9-4328-8ce0-f01c67a21d8b/v15 | ef:flow/3db5fd85-0ae9-4328-8ce0-f01c67a21d8b/v16 |
| ef:activity/change/20260822T0600486828500000/288157 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/3db5fd85-0ae9-4328-8ce0-f01c67a21d8b/v16 | ef:flow/3db5fd85-0ae9-4328-8ce0-f01c67a21d8b/v17 |
| ef:activity/change/20260822T0600486828500000/319637 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/3db5fd85-0ae9-4328-8ce0-f01c67a21d8b/v17 | ef:flow/3db5fd85-0ae9-4328-8ce0-f01c67a21d8b/v18 |
| ef:activity/change/20260822T0600486828500000/388984 | properties | ef:agent/normalise_property_values | ef:flow/3db5fd85-0ae9-4328-8ce0-f01c67a21d8b/v18 | ef:flow/3db5fd85-0ae9-4328-8ce0-f01c67a21d8b/v19 |
| ef:activity/change/20260822T0600486828500000/395946 | types | ef:agent/link_flows_to_their_substance | ef:flow/3db5fd85-0ae9-4328-8ce0-f01c67a21d8b/v19 | ef:flow/3db5fd85-0ae9-4328-8ce0-f01c67a21d8b/v20 |