Fatty Acids, C16-18 (even Numbered), Branched And Linear, Triesters With Trimethylolpropane
Everything that changed this flow. Back to the flow
a2bbd576-ab0c-403c-aaf9-92cf4e0f0f5f
By field
13 fields| Field | Changes | Written by | Latest note |
|---|---|---|---|
| properties | 6 | enrich_references, opsin_iupac, rdkit_post_consensus, rdkit_pre_consensus, withhold_ambiguous_mass, withhold_contradicted_composition | withhold_ambiguous_mass: removed molecular_mass, monoisotopic_mass; the flow carries 3 candidate structures, so no one mass describes it |
| altLabel | 2 | consensus_match, strip_catalogue_altlabels | Removed 8 catalogue altLabel value(s): 'Emery 2951' (trade name), 'Nikkol Trialan 318' (trade name), 'Nikkol Trialan 318H' (trade name), 'Priolube 3999' (trade name), 'Prisorine 3630' (trade name), 'Radia 7380' (trade name), 'Salacos 6318' (trade name), 'Salacos 6318V' (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=fattyacids,c16-18(evennumbered),branchedandlinear,triesterswithtrimethylolpropane||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory']; cas_sources={'68541-50-4': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-56323815fc2168aa: {'68541-50-4': '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=['68541-50-4']; matched_chebi_ids=[]; candidate_pubchem_cids=[110529, 18466391, 102600833]; selected_pubchem_cids=[110529, 18466391, 102600833]; 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 |
|---|---|---|---|---|---|
| 20,437 | bootstrap_labels | prefLabel | — | [{"@value":"fatty acids, c16-18 (even numbered), branched and linear, triesters with trimethylolpropane","@language":"e… | Bootstrapped prefLabel from legacy name field |
| 20,438 | bootstrap_labels | name | fatty acids, c16-18 (even numbered), branched and linear, triesters with trimethylolpropane | — | Purged legacy name field to enforce prefLabel usage |
| 20,439 | bootstrap_labels | synonyms | ["organic","2-ethyl-2-[[(1-oxoisooctadecyl)oxy]methyl]-1,3-propanediylbis(isooctadecanoate)","kaktti","salacos6318v","s… | [] | Removed legacy synonyms field in favor of structured labels |
| 146,691 | 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 |
| 146,692 | 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 |
| 219,959 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 225,727 | normalize_name_case | prefLabel | [{"@value":"fatty acids, c16-18 (even numbered), branched and linear, triesters with trimethylolpropane","@language":"e… | [{"@value":"Fatty Acids, C16-18 (even Numbered), Branched And Linear, Triesters With Trimethylolpropane","@language":"e… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 246,062 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C60H116O6"… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=3) |
| 246,063 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 246,064 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J332.494J","provenance":{"prov:wasGeneratedBy":"enrich_referen… | Added references with provenance; cas_numbers=['68541-50-4']; matched_chebi_ids=[]; candidate_pubchem_cids=[110529, 18466391, 102600833]; selected_pubchem_cids=[110529, 18466391, 102600833]; 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 |
| 253,768 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C60H116O6"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C60H116O6"… | rdkit_pre_consensus from 'CCC(CCCCCCCCCCCCCC(C)C)(C(=O)CCCCCCCCCCCCCCC(C)C)C(=O)OCCCOC(=O)C(CC)(CCCCCCCCCCCCCC(C)C)C(=O)CCCCCCCCCCCCCCC(C)C'; added: molecular_mass, monoisotopic_mass |
| 267,026 | consensus_match | altLabel | [] | [{"@value":"Crodamol TTIS","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"b… | group_key=fattyacids,c16-18(evennumbered),branchedandlinear,triesterswithtrimethylolpropane||dimension=Environmental > media=Water > water_body=Unknown; cas=68541-50-4; added Common Chemistry CAS names as altLabel: Crodamol TTIS, Emery 2951, Isooctadecanoic acid, 1,1′-[2-ethyl-2-[[(1-oxoisooctadecyl)oxy]methyl]-1,3-propanediyl] ester, Isooctadecanoic acid, 2-ethyl-2-[[(1-oxoisooctadecyl)oxy]methyl]-1,3-propanediyl ester, KAK-TTI, Nikkol Trialan 318, Nikkol Trialan 318H, Pelemol TMPIS, Priolube 3999, Prisorine 3630, RA-TM 318, Radia 7380, Salacos 6318, Salacos 6318V, Trimethylolpropane triisooctadecanoate, Trimethylolpropane triisostearate; object_uuid=fo-56323815fc2168aa |
| 267,027 | consensus_match | cas_match_labels | — | {"68541-50-4":"exactMatch"} | group_key=fattyacids,c16-18(evennumbered),branchedandlinear,triesterswithtrimethylolpropane||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory']; cas_sources={'68541-50-4': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-56323815fc2168aa: {'68541-50-4': 'exactMatch'} |
| 278,975 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C60H116O6"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C60H116O6"… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Trimethylolpropane triisooctadecanoate' |
| 285,792 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C60H116O6"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C60H116O6"… | rdkit_post_consensus from 'CC(C)CCCCCCCCCCCCCCC(=O)O.CC(C)CCCCCCCCCCCCCCC(=O)O.CC(C)CCCCCCCCCCCCCCC(=O)O.CCC(CO)(CO)CO'; added: molecular_mass, monoisotopic_mass; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula |
| 286,712 | withhold_contradicted_composition | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C60H116O6"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C60H116O6"… | withhold_contradicted_composition: the registry registers [(('C', 60), ('O', 6))], contradicting ['C60H122O9', 'C79H152O6'] from ['rdkit_post_consensus']; withdrew molecular_mass x1, monoisotopic_mass x1 |
| 287,190 | withhold_ambiguous_mass | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C60H116O6"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C60H116O6"… | withhold_ambiguous_mass: removed molecular_mass, monoisotopic_mass; the flow carries 3 candidate structures, so no one mass describes it |
| 291,339 | strip_catalogue_altlabels | altLabel | [{"@value":"Crodamol TTIS","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"b… | [{"@value":"Crodamol TTIS","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"b… | Removed 8 catalogue altLabel value(s): 'Emery 2951' (trade name), 'Nikkol Trialan 318' (trade name), 'Nikkol Trialan 318H' (trade name), 'Priolube 3999' (trade name), 'Prisorine 3630' (trade name), 'Radia 7380' (trade name), 'Salacos 6318' (trade name), 'Salacos 6318V' (trade name) |
| 354,400 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/a2bbd576-ab0c-… | associations resolved on the elementary layer |
| 402,293 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/MolecularComplex"] | 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/20261019T0712047113160000/20437 | prefLabel | ef:agent/bootstrap_labels | ef:flow/a2bbd576-ab0c-403c-aaf9-92cf4e0f0f5f/v0 | ef:flow/a2bbd576-ab0c-403c-aaf9-92cf4e0f0f5f/v1 |
| ef:activity/change/20261019T0712047113160000/20438 | name | ef:agent/bootstrap_labels | ef:flow/a2bbd576-ab0c-403c-aaf9-92cf4e0f0f5f/v1 | ef:flow/a2bbd576-ab0c-403c-aaf9-92cf4e0f0f5f/v2 |
| ef:activity/change/20261019T0712047113160000/20439 | synonyms | ef:agent/bootstrap_labels | ef:flow/a2bbd576-ab0c-403c-aaf9-92cf4e0f0f5f/v2 | ef:flow/a2bbd576-ab0c-403c-aaf9-92cf4e0f0f5f/v3 |
| ef:activity/change/20261019T0712047113160000/146691 | context | ef:agent/default_context_mapping | ef:flow/a2bbd576-ab0c-403c-aaf9-92cf4e0f0f5f/v3 | ef:flow/a2bbd576-ab0c-403c-aaf9-92cf4e0f0f5f/v4 |
| ef:activity/change/20261019T0712047113160000/146692 | context_iri | ef:agent/default_context_mapping | ef:flow/a2bbd576-ab0c-403c-aaf9-92cf4e0f0f5f/v4 | ef:flow/a2bbd576-ab0c-403c-aaf9-92cf4e0f0f5f/v5 |
| ef:activity/change/20261019T0712047113160000/219959 | unit_iri | ef:agent/unit_normalization | ef:flow/a2bbd576-ab0c-403c-aaf9-92cf4e0f0f5f/v5 | ef:flow/a2bbd576-ab0c-403c-aaf9-92cf4e0f0f5f/v6 |
| ef:activity/change/20261019T0712047113160000/225727 | prefLabel | ef:agent/normalize_name_case | ef:flow/a2bbd576-ab0c-403c-aaf9-92cf4e0f0f5f/v6 | ef:flow/a2bbd576-ab0c-403c-aaf9-92cf4e0f0f5f/v7 |
| ef:activity/change/20261019T0712047113160000/246062 | properties | ef:agent/enrich_references | ef:flow/a2bbd576-ab0c-403c-aaf9-92cf4e0f0f5f/v7 | ef:flow/a2bbd576-ab0c-403c-aaf9-92cf4e0f0f5f/v8 |
| ef:activity/change/20261019T0712047113160000/246063 | skos_definition | ef:agent/enrich_references | ef:flow/a2bbd576-ab0c-403c-aaf9-92cf4e0f0f5f/v8 | ef:flow/a2bbd576-ab0c-403c-aaf9-92cf4e0f0f5f/v9 |
| ef:activity/change/20261019T0712047113160000/246064 | references | ef:agent/enrich_references | ef:flow/a2bbd576-ab0c-403c-aaf9-92cf4e0f0f5f/v9 | ef:flow/a2bbd576-ab0c-403c-aaf9-92cf4e0f0f5f/v10 |
| ef:activity/change/20261019T0712047113160000/253768 | properties | ef:agent/rdkit_pre_consensus | ef:flow/a2bbd576-ab0c-403c-aaf9-92cf4e0f0f5f/v10 | ef:flow/a2bbd576-ab0c-403c-aaf9-92cf4e0f0f5f/v11 |
| ef:activity/change/20261019T0712047113160000/267026 | altLabel | ef:agent/consensus_match | ef:flow/a2bbd576-ab0c-403c-aaf9-92cf4e0f0f5f/v11 | ef:flow/a2bbd576-ab0c-403c-aaf9-92cf4e0f0f5f/v12 |
| ef:activity/change/20261019T0712047113160000/267027 | cas_match_labels | ef:agent/consensus_match | ef:flow/a2bbd576-ab0c-403c-aaf9-92cf4e0f0f5f/v12 | ef:flow/a2bbd576-ab0c-403c-aaf9-92cf4e0f0f5f/v13 |
| ef:activity/change/20261019T0712047113160000/278975 | properties | ef:agent/opsin_iupac | ef:flow/a2bbd576-ab0c-403c-aaf9-92cf4e0f0f5f/v13 | ef:flow/a2bbd576-ab0c-403c-aaf9-92cf4e0f0f5f/v14 |
| ef:activity/change/20261019T0712047113160000/285792 | properties | ef:agent/rdkit_post_consensus | ef:flow/a2bbd576-ab0c-403c-aaf9-92cf4e0f0f5f/v14 | ef:flow/a2bbd576-ab0c-403c-aaf9-92cf4e0f0f5f/v15 |
| ef:activity/change/20261019T0712047113160000/286712 | properties | ef:agent/withhold_contradicted_composition | ef:flow/a2bbd576-ab0c-403c-aaf9-92cf4e0f0f5f/v15 | ef:flow/a2bbd576-ab0c-403c-aaf9-92cf4e0f0f5f/v16 |
| ef:activity/change/20261019T0712047113160000/287190 | properties | ef:agent/withhold_ambiguous_mass | ef:flow/a2bbd576-ab0c-403c-aaf9-92cf4e0f0f5f/v16 | ef:flow/a2bbd576-ab0c-403c-aaf9-92cf4e0f0f5f/v17 |
| ef:activity/change/20261019T0712047113160000/291339 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/a2bbd576-ab0c-403c-aaf9-92cf4e0f0f5f/v17 | ef:flow/a2bbd576-ab0c-403c-aaf9-92cf4e0f0f5f/v18 |
| ef:activity/change/20261019T0712047113160000/354400 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/a2bbd576-ab0c-403c-aaf9-92cf4e0f0f5f/v18 | ef:flow/a2bbd576-ab0c-403c-aaf9-92cf4e0f0f5f/v19 |
| ef:activity/change/20261019T0712047113160000/402293 | types | ef:agent/link_flows_to_their_substance | ef:flow/a2bbd576-ab0c-403c-aaf9-92cf4e0f0f5f/v19 | ef:flow/a2bbd576-ab0c-403c-aaf9-92cf4e0f0f5f/v20 |