3-(dodecanoylamino)-n,n,n-trimethylpropan-1-aminium Methyl Sulfate
Everything that changed this flow. Back to the flow
e45556ed-8903-4f89-8296-92f4789ab2cf
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 |
| 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=3-(dodecanoylamino)-n,n,n-trimethylpropan-1-aminiummethylsulfate||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['ec_inventory']; cas_sources={'10595-49-0': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-479d38ca66754e76: {'10595-49-0': '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 non-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 non-agricultural soil |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['10595-49-0']; matched_chebi_ids=[]; candidate_pubchem_cids=[160947]; selected_pubchem_cids=[160947]; 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 |
|---|---|---|---|---|---|
| 12,372 | bootstrap_labels | prefLabel | — | [{"@value":"3-(dodecanoylamino)-n,n,n-trimethylpropan-1-aminium methyl sulfate","@language":"en","source":{"prov:wasGen… | Bootstrapped prefLabel from legacy name field |
| 12,373 | bootstrap_labels | name | 3-(dodecanoylamino)-n,n,n-trimethylpropan-1-aminium methyl sulfate | — | Purged legacy name field to enforce prefLabel usage |
| 12,374 | bootstrap_labels | synonyms | ["organic","methyltrimethyl-3-[(1-oxododecyl)amino]propylammoniumsulphate"] | [] | Removed legacy synonyms field in favor of structured labels |
| 186,590 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Ground","geography":"Non-agricultural"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to non-agricultural soil |
| 186,591 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-grou-noag | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to non-agricultural soil |
| 217,433 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 223,961 | normalize_name_case | prefLabel | [{"@value":"3-(dodecanoylamino)-n,n,n-trimethylpropan-1-aminium methyl sulfate","@language":"en","source":{"prov:wasGen… | [{"@value":"3-(dodecanoylamino)-n,n,n-trimethylpropan-1-aminium Methyl Sulfate","@language":"en","source":{"prov:wasGen… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 238,931 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C19H42N2O5… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 238,932 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 238,933 | enrich_references | references | [] | [{"@id":"https://chem.echa.europa.eu/100.031.083","provenance":{"prov:wasGeneratedBy":"enrich_references.pubchem_identi… | Added references with provenance; cas_numbers=['10595-49-0']; matched_chebi_ids=[]; candidate_pubchem_cids=[160947]; selected_pubchem_cids=[160947]; 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 |
| 251,693 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C19H42N2O5… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C19H42N2O5… | rdkit_pre_consensus from 'CCCCCCCCCCCC(=O)NCCC[N+](C)(C)C.COS(=O)(=O)[O-]'; added: molecular_mass, monoisotopic_mass |
| 261,801 | consensus_match | altLabel | [] | [{"@value":"(3-Lauramidopropyl)trimethylammonium methyl sulfate","@language":"en","source":{"prov:wasGeneratedBy":"cons… | group_key=3-(dodecanoylamino)-n,n,n-trimethylpropan-1-aminiummethylsulfate||dimension=Environmental > media=Water > water_body=Surface water; cas=10595-49-0; added Common Chemistry CAS names as altLabel: (3-Lauramidopropyl)trimethylammonium methyl sulfate, 1-Propanaminium, <em>N</em>,<em>N</em>,<em>N</em>-trimethyl-3-[(1-oxododecyl)amino]-, methyl sulfate, 1-Propanaminium, <em>N</em>,<em>N</em>,<em>N</em>-trimethyl-3-[(1-oxododecyl)amino]-, methyl sulfate (1:1), Ammonium, (3-lauramidopropyl)trimethyl-, methyl sulfate, Antistatic Agent LS, Catanac LS, Catanac LSA, Cyastat LS, Servo Q 8010, [3-(Lauroylamino)propyl]trimethylammonium methyl sulfate; object_uuid=fo-479d38ca66754e76 |
| 261,802 | consensus_match | cas_match_labels | — | {"10595-49-0":"exactMatch"} | group_key=3-(dodecanoylamino)-n,n,n-trimethylpropan-1-aminiummethylsulfate||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['ec_inventory']; cas_sources={'10595-49-0': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-479d38ca66754e76: {'10595-49-0': 'exactMatch'} |
| 276,879 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C19H42N2O5… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C19H42N2O5… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '(3-Lauramidopropyl)trimethylammonium methyl sulfate' |
| 283,525 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C19H42N2O5… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C19H42N2O5… | rdkit_post_consensus from 'CCCCCCCCCCCC(=O)NCCC[N+](C)(C)C.COS(=O)(=O)[O-]'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 292,629 | dedupe_altlabels | altLabel | [{"@value":"(3-Lauramidopropyl)trimethylammonium methyl sulfate","@language":"en","source":{"prov:wasGeneratedBy":"cons… | [{"@value":"(3-Lauramidopropyl)trimethylammonium methyl sulfate","@language":"en","source":{"prov:wasGeneratedBy":"cons… | Deduplicated altLabel values and removed entries matching prefLabel |
| 374,322 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/e45556ed-8903-… | associations resolved on the elementary layer |
| 391,237 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C19H42N2O5… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C19H42N2O5… | typed the way the ontology types it |
| 399,178 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/ChemicalSalt"] | 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/20260821T1302361922970000/12372 | prefLabel | ef:agent/bootstrap_labels | ef:flow/e45556ed-8903-4f89-8296-92f4789ab2cf/v0 | ef:flow/e45556ed-8903-4f89-8296-92f4789ab2cf/v1 |
| ef:activity/change/20260821T1302361922970000/12373 | name | ef:agent/bootstrap_labels | ef:flow/e45556ed-8903-4f89-8296-92f4789ab2cf/v1 | ef:flow/e45556ed-8903-4f89-8296-92f4789ab2cf/v2 |
| ef:activity/change/20260821T1302361922970000/12374 | synonyms | ef:agent/bootstrap_labels | ef:flow/e45556ed-8903-4f89-8296-92f4789ab2cf/v2 | ef:flow/e45556ed-8903-4f89-8296-92f4789ab2cf/v3 |
| ef:activity/change/20260821T1302361922970000/186590 | context | ef:agent/default_context_mapping | ef:flow/e45556ed-8903-4f89-8296-92f4789ab2cf/v3 | ef:flow/e45556ed-8903-4f89-8296-92f4789ab2cf/v4 |
| ef:activity/change/20260821T1302361922970000/186591 | context_iri | ef:agent/default_context_mapping | ef:flow/e45556ed-8903-4f89-8296-92f4789ab2cf/v4 | ef:flow/e45556ed-8903-4f89-8296-92f4789ab2cf/v5 |
| ef:activity/change/20260821T1302361922970000/217433 | unit_iri | ef:agent/unit_normalization | ef:flow/e45556ed-8903-4f89-8296-92f4789ab2cf/v5 | ef:flow/e45556ed-8903-4f89-8296-92f4789ab2cf/v6 |
| ef:activity/change/20260821T1302361922970000/223961 | prefLabel | ef:agent/normalize_name_case | ef:flow/e45556ed-8903-4f89-8296-92f4789ab2cf/v6 | ef:flow/e45556ed-8903-4f89-8296-92f4789ab2cf/v7 |
| ef:activity/change/20260821T1302361922970000/238931 | properties | ef:agent/enrich_references | ef:flow/e45556ed-8903-4f89-8296-92f4789ab2cf/v7 | ef:flow/e45556ed-8903-4f89-8296-92f4789ab2cf/v8 |
| ef:activity/change/20260821T1302361922970000/238932 | skos_definition | ef:agent/enrich_references | ef:flow/e45556ed-8903-4f89-8296-92f4789ab2cf/v8 | ef:flow/e45556ed-8903-4f89-8296-92f4789ab2cf/v9 |
| ef:activity/change/20260821T1302361922970000/238933 | references | ef:agent/enrich_references | ef:flow/e45556ed-8903-4f89-8296-92f4789ab2cf/v9 | ef:flow/e45556ed-8903-4f89-8296-92f4789ab2cf/v10 |
| ef:activity/change/20260821T1302361922970000/251693 | properties | ef:agent/rdkit_pre_consensus | ef:flow/e45556ed-8903-4f89-8296-92f4789ab2cf/v10 | ef:flow/e45556ed-8903-4f89-8296-92f4789ab2cf/v11 |
| ef:activity/change/20260821T1302361922970000/261801 | altLabel | ef:agent/consensus_match | ef:flow/e45556ed-8903-4f89-8296-92f4789ab2cf/v11 | ef:flow/e45556ed-8903-4f89-8296-92f4789ab2cf/v12 |
| ef:activity/change/20260821T1302361922970000/261802 | cas_match_labels | ef:agent/consensus_match | ef:flow/e45556ed-8903-4f89-8296-92f4789ab2cf/v12 | ef:flow/e45556ed-8903-4f89-8296-92f4789ab2cf/v13 |
| ef:activity/change/20260821T1302361922970000/276879 | properties | ef:agent/opsin_iupac | ef:flow/e45556ed-8903-4f89-8296-92f4789ab2cf/v13 | ef:flow/e45556ed-8903-4f89-8296-92f4789ab2cf/v14 |
| ef:activity/change/20260821T1302361922970000/283525 | properties | ef:agent/rdkit_post_consensus | ef:flow/e45556ed-8903-4f89-8296-92f4789ab2cf/v14 | ef:flow/e45556ed-8903-4f89-8296-92f4789ab2cf/v15 |
| ef:activity/change/20260821T1302361922970000/292629 | altLabel | ef:agent/dedupe_altlabels | ef:flow/e45556ed-8903-4f89-8296-92f4789ab2cf/v15 | ef:flow/e45556ed-8903-4f89-8296-92f4789ab2cf/v16 |
| ef:activity/change/20260821T1302361922970000/374322 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/e45556ed-8903-4f89-8296-92f4789ab2cf/v16 | ef:flow/e45556ed-8903-4f89-8296-92f4789ab2cf/v17 |
| ef:activity/change/20260821T1302361922970000/391237 | properties | ef:agent/normalise_property_values | ef:flow/e45556ed-8903-4f89-8296-92f4789ab2cf/v17 | ef:flow/e45556ed-8903-4f89-8296-92f4789ab2cf/v18 |
| ef:activity/change/20260821T1302361922970000/399178 | types | ef:agent/link_flows_to_their_substance | ef:flow/e45556ed-8903-4f89-8296-92f4789ab2cf/v18 | ef:flow/e45556ed-8903-4f89-8296-92f4789ab2cf/v19 |