Hexadecyldimethylamine
Everything that changed this flow. Back to the flow
2fd0cb38-eb33-43b3-923a-d22e085b12c6
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 6 catalogue altLabel value(s): 'ADMA 16' (grade code), 'AT 1695' (grade code), 'DM 6098' (grade code), 'IPL 67' (grade code), 'NSC 404177' (registry code), 'NSC 8493' (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=hexadecyldimethylamine||dimension=Environmental > media=Water > water_body=Long-term; group_sources=['ec_inventory', 'pubchem']; cas_sources={'112-69-6': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-e66c77062c42e65f: {'112-69-6': '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 air > Emissions to urban air close to ground |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to urban air close to ground |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['112-69-6']; matched_chebi_ids=[]; candidate_pubchem_cids=[16221]; selected_pubchem_cids=[16221]; 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 |
|---|---|---|---|---|---|
| 10,424 | bootstrap_labels | prefLabel | — | [{"@value":"hexadecyldimethylamine","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttrib… | Bootstrapped prefLabel from legacy name field |
| 10,425 | bootstrap_labels | name | hexadecyldimethylamine | — | Purged legacy name field to enforce prefLabel usage |
| 10,426 | bootstrap_labels | synonyms | ["(C14-C18) Alkyldimethylamine","(C14-C18)Alkyldimethylamine","(C16-22)-Alkyldimethylamine","(C16-C18) and (C18)Unsatur… | [] | Removed legacy synonyms field in favor of structured labels |
| 68,412 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Ground level","population_density":"Urban (>1000 people/square mil… | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to urban air close to ground |
| 68,413 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-grle-ur10pesq | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to urban air close to ground |
| 216,799 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 223,533 | normalize_name_case | prefLabel | [{"@value":"hexadecyldimethylamine","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttrib… | [{"@value":"Hexadecyldimethylamine","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttrib… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 237,113 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C18H39N"],… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 237,114 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 237,115 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J106.586F","provenance":{"prov:wasGeneratedBy":"enrich_referen… | Added references with provenance; cas_numbers=['112-69-6']; matched_chebi_ids=[]; candidate_pubchem_cids=[16221]; selected_pubchem_cids=[16221]; 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 |
| 251,168 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C18H39N"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C18H39N"],… | rdkit_pre_consensus from 'CCCCCCCCCCCCCCCCN(C)C'; added: molecular_mass, monoisotopic_mass |
| 267,651 | consensus_match | altLabel | [] | [{"@value":"1-Hexadecanamine, <em>N</em>,<em>N</em>-dimethyl-","@language":"en","source":{"prov:wasGeneratedBy":"consen… | group_key=hexadecyldimethylamine||dimension=Environmental > media=Water > water_body=Long-term; cas=112-69-6; added Common Chemistry CAS names as altLabel: 1-Hexadecanamine, <em>N</em>,<em>N</em>-dimethyl-, <em>N</em>,<em>N</em>-Dimethyl-1-hexadecanamine, <em>N</em>,<em>N</em>-Dimethyl-<em>n</em>-hexadecylamine, <em>N</em>,<em>N</em>-Dimethylcetylamine, <em>N</em>,<em>N</em>-Dimethylhexadecylamine, <em>N</em>,<em>N</em>-Dimethylpalmitylamine, <em>N</em>-Cetyl-<em>N</em>,<em>N</em>-dimethylamine, <em>N</em>-Hexadecyldimethylamine, ADMA 16, AT 1695, Armeen 2M16D, Armeen DM 16D, Bairdcat B 16, Barlene 16S, Cetyldimethylamine, DM 6098, Dabco B 16, Dimethylcetylamine, Dimethylhexadecylamine, Dimethylpalmitylamine, Farmin DM 60, Farmin DM 6098, Genamin 16R302D, Hexadecylamine, <em>N</em>,<em>N</em>-dimethyl-, IPL 67, Lipomin DM 16D, NSC 404177, NSC 8493, Nissan Tertiary Amine PB, Palmityldimethylamine; object_uuid=fo-e66c77062c42e65f |
| 267,652 | consensus_match | cas_match_labels | — | {"112-69-6":"exactMatch"} | group_key=hexadecyldimethylamine||dimension=Environmental > media=Water > water_body=Long-term; group_sources=['ec_inventory', 'pubchem']; cas_sources={'112-69-6': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-e66c77062c42e65f: {'112-69-6': 'exactMatch'} |
| 276,348 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C18H39N"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C18H39N"],… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Hexadecyldimethylamine' |
| 282,948 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C18H39N"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C18H39N"],… | rdkit_post_consensus from 'CCCCCCCCCCCCCCCCN(C)C'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 289,423 | strip_catalogue_altlabels | altLabel | [{"@value":"1-Hexadecanamine, <em>N</em>,<em>N</em>-dimethyl-","@language":"en","source":{"prov:wasGeneratedBy":"consen… | [{"@value":"1-Hexadecanamine, N,N-dimethyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:w… | Removed 6 catalogue altLabel value(s): 'ADMA 16' (grade code), 'AT 1695' (grade code), 'DM 6098' (grade code), 'IPL 67' (grade code), 'NSC 404177' (registry code), 'NSC 8493' (registry code) |
| 315,223 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/2fd0cb38-eb33-… | associations resolved on the elementary layer |
| 390,700 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C18H39N"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C18H39N"],… | typed the way the ontology types it |
| 398,439 | 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/20260822T0600486828500000/10424 | prefLabel | ef:agent/bootstrap_labels | ef:flow/2fd0cb38-eb33-43b3-923a-d22e085b12c6/v0 | ef:flow/2fd0cb38-eb33-43b3-923a-d22e085b12c6/v1 |
| ef:activity/change/20260822T0600486828500000/10425 | name | ef:agent/bootstrap_labels | ef:flow/2fd0cb38-eb33-43b3-923a-d22e085b12c6/v1 | ef:flow/2fd0cb38-eb33-43b3-923a-d22e085b12c6/v2 |
| ef:activity/change/20260822T0600486828500000/10426 | synonyms | ef:agent/bootstrap_labels | ef:flow/2fd0cb38-eb33-43b3-923a-d22e085b12c6/v2 | ef:flow/2fd0cb38-eb33-43b3-923a-d22e085b12c6/v3 |
| ef:activity/change/20260822T0600486828500000/68412 | context | ef:agent/default_context_mapping | ef:flow/2fd0cb38-eb33-43b3-923a-d22e085b12c6/v3 | ef:flow/2fd0cb38-eb33-43b3-923a-d22e085b12c6/v4 |
| ef:activity/change/20260822T0600486828500000/68413 | context_iri | ef:agent/default_context_mapping | ef:flow/2fd0cb38-eb33-43b3-923a-d22e085b12c6/v4 | ef:flow/2fd0cb38-eb33-43b3-923a-d22e085b12c6/v5 |
| ef:activity/change/20260822T0600486828500000/216799 | unit_iri | ef:agent/unit_normalization | ef:flow/2fd0cb38-eb33-43b3-923a-d22e085b12c6/v5 | ef:flow/2fd0cb38-eb33-43b3-923a-d22e085b12c6/v6 |
| ef:activity/change/20260822T0600486828500000/223533 | prefLabel | ef:agent/normalize_name_case | ef:flow/2fd0cb38-eb33-43b3-923a-d22e085b12c6/v6 | ef:flow/2fd0cb38-eb33-43b3-923a-d22e085b12c6/v7 |
| ef:activity/change/20260822T0600486828500000/237113 | properties | ef:agent/enrich_references | ef:flow/2fd0cb38-eb33-43b3-923a-d22e085b12c6/v7 | ef:flow/2fd0cb38-eb33-43b3-923a-d22e085b12c6/v8 |
| ef:activity/change/20260822T0600486828500000/237114 | skos_definition | ef:agent/enrich_references | ef:flow/2fd0cb38-eb33-43b3-923a-d22e085b12c6/v8 | ef:flow/2fd0cb38-eb33-43b3-923a-d22e085b12c6/v9 |
| ef:activity/change/20260822T0600486828500000/237115 | references | ef:agent/enrich_references | ef:flow/2fd0cb38-eb33-43b3-923a-d22e085b12c6/v9 | ef:flow/2fd0cb38-eb33-43b3-923a-d22e085b12c6/v10 |
| ef:activity/change/20260822T0600486828500000/251168 | properties | ef:agent/rdkit_pre_consensus | ef:flow/2fd0cb38-eb33-43b3-923a-d22e085b12c6/v10 | ef:flow/2fd0cb38-eb33-43b3-923a-d22e085b12c6/v11 |
| ef:activity/change/20260822T0600486828500000/267651 | altLabel | ef:agent/consensus_match | ef:flow/2fd0cb38-eb33-43b3-923a-d22e085b12c6/v11 | ef:flow/2fd0cb38-eb33-43b3-923a-d22e085b12c6/v12 |
| ef:activity/change/20260822T0600486828500000/267652 | cas_match_labels | ef:agent/consensus_match | ef:flow/2fd0cb38-eb33-43b3-923a-d22e085b12c6/v12 | ef:flow/2fd0cb38-eb33-43b3-923a-d22e085b12c6/v13 |
| ef:activity/change/20260822T0600486828500000/276348 | properties | ef:agent/opsin_iupac | ef:flow/2fd0cb38-eb33-43b3-923a-d22e085b12c6/v13 | ef:flow/2fd0cb38-eb33-43b3-923a-d22e085b12c6/v14 |
| ef:activity/change/20260822T0600486828500000/282948 | properties | ef:agent/rdkit_post_consensus | ef:flow/2fd0cb38-eb33-43b3-923a-d22e085b12c6/v14 | ef:flow/2fd0cb38-eb33-43b3-923a-d22e085b12c6/v15 |
| ef:activity/change/20260822T0600486828500000/289423 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/2fd0cb38-eb33-43b3-923a-d22e085b12c6/v15 | ef:flow/2fd0cb38-eb33-43b3-923a-d22e085b12c6/v16 |
| ef:activity/change/20260822T0600486828500000/315223 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/2fd0cb38-eb33-43b3-923a-d22e085b12c6/v16 | ef:flow/2fd0cb38-eb33-43b3-923a-d22e085b12c6/v17 |
| ef:activity/change/20260822T0600486828500000/390700 | properties | ef:agent/normalise_property_values | ef:flow/2fd0cb38-eb33-43b3-923a-d22e085b12c6/v17 | ef:flow/2fd0cb38-eb33-43b3-923a-d22e085b12c6/v18 |
| ef:activity/change/20260822T0600486828500000/398439 | types | ef:agent/link_flows_to_their_substance | ef:flow/2fd0cb38-eb33-43b3-923a-d22e085b12c6/v18 | ef:flow/2fd0cb38-eb33-43b3-923a-d22e085b12c6/v19 |