Octadecanoic Acid, 12-hydroxy-, 2,3-dihydroxypropyl Ester
Everything that changed this flow. Back to the flow
2256de58-529f-4b0f-9de3-880cba0125e1
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, strip_catalogue_altlabels | Removed 1 catalogue altLabel value(s): 'NSC 7399' (registry code) |
| 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=octadecanoicacid,12-hydroxy-,2,3-dihydroxypropylester||dimension=Environmental > media=Ground > geography=Non-agricultural; group_sources=['ec_inventory', 'pubchem']; cas_sources={'6284-43-1': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-b1370d826497354c: {'6284-43-1': '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 |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['6284-43-1']; matched_chebi_ids=[]; candidate_pubchem_cids=[95408, 225190]; selected_pubchem_cids=[95408]; 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 |
|---|---|---|---|---|---|
| 2,959 | bootstrap_labels | prefLabel | — | [{"@value":"octadecanoic acid, 12-hydroxy-, 2,3-dihydroxypropyl ester","@language":"en","source":{"prov:wasGeneratedBy"… | Bootstrapped prefLabel from legacy name field |
| 2,960 | bootstrap_labels | name | octadecanoic acid, 12-hydroxy-, 2,3-dihydroxypropyl ester | — | Purged legacy name field to enforce prefLabel usage |
| 2,961 | bootstrap_labels | synonyms | ["organic","2,3-dihydroxypropyl12-hydroxyoctadecanoate"] | [] | Removed legacy synonyms field in favor of structured labels |
| 59,518 | 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) |
| 59,519 | 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) |
| 214,326 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 221,765 | normalize_name_case | prefLabel | [{"@value":"octadecanoic acid, 12-hydroxy-, 2,3-dihydroxypropyl ester","@language":"en","source":{"prov:wasGeneratedBy"… | [{"@value":"Octadecanoic Acid, 12-hydroxy-, 2,3-dihydroxypropyl Ester","@language":"en","source":{"prov:wasGeneratedBy"… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 230,021 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C21H42O5"]… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 230,022 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 230,023 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J206.845A","provenance":{"prov:wasGeneratedBy":"enrich_referen… | Added references with provenance; cas_numbers=['6284-43-1']; matched_chebi_ids=[]; candidate_pubchem_cids=[95408, 225190]; selected_pubchem_cids=[95408]; 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 |
| 249,135 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C21H42O5"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C21H42O5"]… | rdkit_pre_consensus from 'CCCCCCC(CCCCCCCCCCC(=O)OCC(CO)O)O'; added: molecular_mass, monoisotopic_mass |
| 270,112 | consensus_match | altLabel | [] | [{"@value":"2,3-Dihydroxypropyl 12-hydroxyoctadecanoate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_ma… | group_key=octadecanoicacid,12-hydroxy-,2,3-dihydroxypropylester||dimension=Environmental > media=Ground > geography=Non-agricultural; cas=6284-43-1; added Common Chemistry CAS names as altLabel: 2,3-Dihydroxypropyl 12-hydroxyoctadecanoate, Glycerol, 1-(12-hydroxyoctadecanoate), NSC 7399; object_uuid=fo-b1370d826497354c |
| 270,113 | consensus_match | cas_match_labels | — | {"6284-43-1":"exactMatch"} | group_key=octadecanoicacid,12-hydroxy-,2,3-dihydroxypropylester||dimension=Environmental > media=Ground > geography=Non-agricultural; group_sources=['ec_inventory', 'pubchem']; cas_sources={'6284-43-1': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-b1370d826497354c: {'6284-43-1': 'exactMatch'} |
| 274,251 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C21H42O5"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C21H42O5"]… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Octadecanoic Acid, 12-hydroxy-, 2,3-dihydroxypropyl Ester' |
| 280,680 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C21H42O5"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C21H42O5"]… | rdkit_post_consensus from 'CCCCCCC(O)CCCCCCCCCCC(=O)OCC(O)CO'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 287,833 | strip_catalogue_altlabels | altLabel | [{"@value":"2,3-Dihydroxypropyl 12-hydroxyoctadecanoate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_ma… | [{"@value":"2,3-Dihydroxypropyl 12-hydroxyoctadecanoate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_ma… | Removed 1 catalogue altLabel value(s): 'NSC 7399' (registry code) |
| 310,778 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/2256de58-529f-… | associations resolved on the elementary layer |
| 388,548 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C21H42O5"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C21H42O5"]… | typed the way the ontology types it |
| 395,331 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | 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/20260822T0600486828500000/2959 | prefLabel | ef:agent/bootstrap_labels | ef:flow/2256de58-529f-4b0f-9de3-880cba0125e1/v0 | ef:flow/2256de58-529f-4b0f-9de3-880cba0125e1/v1 |
| ef:activity/change/20260822T0600486828500000/2960 | name | ef:agent/bootstrap_labels | ef:flow/2256de58-529f-4b0f-9de3-880cba0125e1/v1 | ef:flow/2256de58-529f-4b0f-9de3-880cba0125e1/v2 |
| ef:activity/change/20260822T0600486828500000/2961 | synonyms | ef:agent/bootstrap_labels | ef:flow/2256de58-529f-4b0f-9de3-880cba0125e1/v2 | ef:flow/2256de58-529f-4b0f-9de3-880cba0125e1/v3 |
| ef:activity/change/20260822T0600486828500000/59518 | context | ef:agent/default_context_mapping | ef:flow/2256de58-529f-4b0f-9de3-880cba0125e1/v3 | ef:flow/2256de58-529f-4b0f-9de3-880cba0125e1/v4 |
| ef:activity/change/20260822T0600486828500000/59519 | context_iri | ef:agent/default_context_mapping | ef:flow/2256de58-529f-4b0f-9de3-880cba0125e1/v4 | ef:flow/2256de58-529f-4b0f-9de3-880cba0125e1/v5 |
| ef:activity/change/20260822T0600486828500000/214326 | unit_iri | ef:agent/unit_normalization | ef:flow/2256de58-529f-4b0f-9de3-880cba0125e1/v5 | ef:flow/2256de58-529f-4b0f-9de3-880cba0125e1/v6 |
| ef:activity/change/20260822T0600486828500000/221765 | prefLabel | ef:agent/normalize_name_case | ef:flow/2256de58-529f-4b0f-9de3-880cba0125e1/v6 | ef:flow/2256de58-529f-4b0f-9de3-880cba0125e1/v7 |
| ef:activity/change/20260822T0600486828500000/230021 | properties | ef:agent/enrich_references | ef:flow/2256de58-529f-4b0f-9de3-880cba0125e1/v7 | ef:flow/2256de58-529f-4b0f-9de3-880cba0125e1/v8 |
| ef:activity/change/20260822T0600486828500000/230022 | skos_definition | ef:agent/enrich_references | ef:flow/2256de58-529f-4b0f-9de3-880cba0125e1/v8 | ef:flow/2256de58-529f-4b0f-9de3-880cba0125e1/v9 |
| ef:activity/change/20260822T0600486828500000/230023 | references | ef:agent/enrich_references | ef:flow/2256de58-529f-4b0f-9de3-880cba0125e1/v9 | ef:flow/2256de58-529f-4b0f-9de3-880cba0125e1/v10 |
| ef:activity/change/20260822T0600486828500000/249135 | properties | ef:agent/rdkit_pre_consensus | ef:flow/2256de58-529f-4b0f-9de3-880cba0125e1/v10 | ef:flow/2256de58-529f-4b0f-9de3-880cba0125e1/v11 |
| ef:activity/change/20260822T0600486828500000/270112 | altLabel | ef:agent/consensus_match | ef:flow/2256de58-529f-4b0f-9de3-880cba0125e1/v11 | ef:flow/2256de58-529f-4b0f-9de3-880cba0125e1/v12 |
| ef:activity/change/20260822T0600486828500000/270113 | cas_match_labels | ef:agent/consensus_match | ef:flow/2256de58-529f-4b0f-9de3-880cba0125e1/v12 | ef:flow/2256de58-529f-4b0f-9de3-880cba0125e1/v13 |
| ef:activity/change/20260822T0600486828500000/274251 | properties | ef:agent/opsin_iupac | ef:flow/2256de58-529f-4b0f-9de3-880cba0125e1/v13 | ef:flow/2256de58-529f-4b0f-9de3-880cba0125e1/v14 |
| ef:activity/change/20260822T0600486828500000/280680 | properties | ef:agent/rdkit_post_consensus | ef:flow/2256de58-529f-4b0f-9de3-880cba0125e1/v14 | ef:flow/2256de58-529f-4b0f-9de3-880cba0125e1/v15 |
| ef:activity/change/20260822T0600486828500000/287833 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/2256de58-529f-4b0f-9de3-880cba0125e1/v15 | ef:flow/2256de58-529f-4b0f-9de3-880cba0125e1/v16 |
| ef:activity/change/20260822T0600486828500000/310778 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/2256de58-529f-4b0f-9de3-880cba0125e1/v16 | ef:flow/2256de58-529f-4b0f-9de3-880cba0125e1/v17 |
| ef:activity/change/20260822T0600486828500000/388548 | properties | ef:agent/normalise_property_values | ef:flow/2256de58-529f-4b0f-9de3-880cba0125e1/v17 | ef:flow/2256de58-529f-4b0f-9de3-880cba0125e1/v18 |
| ef:activity/change/20260822T0600486828500000/395331 | types | ef:agent/link_flows_to_their_substance | ef:flow/2256de58-529f-4b0f-9de3-880cba0125e1/v18 | ef:flow/2256de58-529f-4b0f-9de3-880cba0125e1/v19 |