Pentamethyldiethylenetriamine
Everything that changed this flow. Back to the flow
9eee47d4-d4d1-4a1b-a2d9-afe4c35a8d49
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 | 4 | chebi_altlabels, consensus_match, strip_catalogue_altlabels | Removed 8 catalogue altLabel value(s): 'AM 1' (grade code), 'DY 5' (grade code), 'KL 3' (grade code), 'Kao 3' (grade code), 'Maycat 805' (trade name), 'N 301' (grade code), 'NSC 65659' (registry code), 'PC 5' (grade code) |
| prefLabel | 3 | bootstrap_labels, consensus_match, normalize_name_case | cas=3030-47-5; cc_chebi_agreed_name='Pentamethyldiethylenetriamine'; object_uuid=fo-f5926b4a1d2357e6 |
| cas_match_labels | 1 | consensus_match | group_key=n-[2-(dimethylamino)ethyl]-n,n',n'-trimethylethane-1,2-diamine||dimension=Environmental > media=Water > water_body=Long-term; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'3030-47-5': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-f5926b4a1d2357e6: {'3030-47-5': '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=['3030-47-5']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_39475']; candidate_pubchem_cids=[18196, 18320904, 53412335]; selected_pubchem_cids=[18196]; 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
22| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 21,956 | bootstrap_labels | prefLabel | — | [{"@value":"n-[2-(dimethylamino)ethyl]-n,n',n'-trimethylethane-1,2-diamine","@language":"en","source":{"prov:wasGenerat… | Bootstrapped prefLabel from legacy name field |
| 21,957 | bootstrap_labels | name | n-[2-(dimethylamino)ethyl]-n,n',n'-trimethylethane-1,2-diamine | — | Purged legacy name field to enforce prefLabel usage |
| 21,958 | bootstrap_labels | synonyms | ["organic","bis(2-dimethylaminoethyl)(methyl)amine","1,1,4,7,7-pentamethyldiethylenetriamine","1,2-ethanediamine,n-[2-(… | [] | Removed legacy synonyms field in favor of structured labels |
| 144,278 | 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 |
| 144,279 | 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 |
| 220,363 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 226,055 | normalize_name_case | prefLabel | [{"@value":"n-[2-(dimethylamino)ethyl]-n,n',n'-trimethylethane-1,2-diamine","@language":"en","source":{"prov:wasGenerat… | [{"@value":"N-[2-(dimethylamino)ethyl]-n,n',n'-trimethylethane-1,2-diamine","@language":"en","source":{"prov:wasGenerat… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 247,171 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H23N3"],… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 247,172 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 247,173 | enrich_references | references | [] | [{"@id":"beilstein:1741396","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedTo":… | Added references with provenance; cas_numbers=['3030-47-5']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_39475']; candidate_pubchem_cids=[18196, 18320904, 53412335]; selected_pubchem_cids=[18196]; 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 |
| 254,082 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H23N3"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H23N3"],… | rdkit_pre_consensus from 'CN(C)CCN(C)CCN(C)C'; added: monoisotopic_mass |
| 257,159 | chebi_altlabels | altLabel | [] | [{"@value":"1,1,4,7,7-pentamethyldiethylenetriamine","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels"… | Added 11 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 269,434 | consensus_match | prefLabel | [{"@value":"N-[2-(dimethylamino)ethyl]-n,n',n'-trimethylethane-1,2-diamine","@language":"en","source":{"prov:wasGenerat… | [{"@value":"Pentamethyldiethylenetriamine","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:was… | cas=3030-47-5; cc_chebi_agreed_name='Pentamethyldiethylenetriamine'; object_uuid=fo-f5926b4a1d2357e6 |
| 269,435 | consensus_match | altLabel | [{"@value":"1,1,4,7,7-pentamethyldiethylenetriamine","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels"… | [{"@value":"1,1,4,7,7-pentamethyldiethylenetriamine","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels"… | cas=3030-47-5; added original name as altLabel after CC/ChEBI rename; object_uuid=fo-f5926b4a1d2357e6 |
| 269,436 | consensus_match | altLabel | [{"@value":"1,1,4,7,7-pentamethyldiethylenetriamine","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels"… | [{"@value":"1,1,4,7,7-pentamethyldiethylenetriamine","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels"… | group_key=n-[2-(dimethylamino)ethyl]-n,n',n'-trimethylethane-1,2-diamine||dimension=Environmental > media=Water > water_body=Long-term; cas=3030-47-5; added Common Chemistry CAS names as altLabel: (2-[[2-(Dimethylamino)ethyl](methyl)amino]ethyl)dimethylamine, 1,1,4,7,7-Pentamethyl-1,4,7-triazaheptane, 1,2-Ethanediamine, <em>N</em>-[2-(dimethylamino)ethyl]-<em>N</em>,<em>N</em>′,<em>N</em>′-trimethyl-, 1,2-Ethanediamine, <em>N</em><sup>1</sup>-[2-(dimethylamino)ethyl]-<em>N</em><sup>1</sup>,<em>N</em><sup>2</sup>,<em>N</em><sup>2</sup>-trimethyl-, <em>N</em>,<em>N</em>,<em>N</em>′,<em>N</em>′,<em>N</em>′′-Pentamethylbis(2-aminoethyl)amine, <em>N</em>,<em>N</em>,<em>N</em>′,<em>N</em>′′,<em>N</em>′′-Pentamethyl-3-azapentane-1,5-diamine, <em>N</em>,<em>N</em>,<em>N</em>′,<em>N</em>′′,<em>N</em>′′-Pentamethylbis(2-aminoethyl)amine, <em>N</em>,<em>N</em>,<em>N</em>′,<em>N</em>′′,<em>N</em>′′-Pentamethyldiethylenetriamine, <em>N</em>,<em>N</em>-Bis(2-dimethylaminoethyl)methanamine, <em>N</em>,<em>N</em>-Bis[2-(dimethylamino)ethyl]methylamine, <em>N</em>-Methyl-<em>N</em>,<em>N</em>-bis(2-dimethylaminoethyl)amine, <em>N</em>-[2-(Dimethylamino)ethyl]-<em>N</em>,<em>N</em>′,<em>N</em>′-trimethyl-1,2-ethanediamine, <em>N</em><sup>1</sup>-[2-(Dimethylamino)ethyl]-<em>N</em><sup>1</sup>,<em>N</em><sup>2</sup>,<em>N</em><sup>2</sup>-trimethyl-1,2-ethanediamine, AM 1, Bis[2-(dimethylamino)ethyl]methylamine, DY 5, Dabco PMDETA, Desmorapid PV, Diethylenetriamine, 1,1,4,7,7-pentamethyl-, Jeffcat PMDETA, KL 3, Kao 3, Kaolizer 3, Lupragen N 301, Maycat 805, N 301, N1,N1,N3,N5,N5-Pentamethyl-3-azapentane-1,5-diamine, NSC 65659, Niax C 5, Niax Catalyst C 5, PC 5, PC CAT PMDETA, PMDETA, PMDTA, Polycat 5, Tegoamin PMDETA, Toyocat DT, Wanamine PMDETA; object_uuid=fo-f5926b4a1d2357e6 |
| 269,437 | consensus_match | cas_match_labels | — | {"3030-47-5":"exactMatch"} | group_key=n-[2-(dimethylamino)ethyl]-n,n',n'-trimethylethane-1,2-diamine||dimension=Environmental > media=Water > water_body=Long-term; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'3030-47-5': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-f5926b4a1d2357e6: {'3030-47-5': 'exactMatch'} |
| 279,285 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H23N3"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H23N3"],… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Pentamethyldiethylenetriamine' |
| 286,153 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H23N3"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H23N3"],… | rdkit_post_consensus from 'CN(C)CCN(C)CCN(C)C'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 291,550 | strip_catalogue_altlabels | altLabel | [{"@value":"1,1,4,7,7-pentamethyldiethylenetriamine","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels"… | [{"@value":"1,1,4,7,7-pentamethyldiethylenetriamine","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels"… | Removed 8 catalogue altLabel value(s): 'AM 1' (grade code), 'DY 5' (grade code), 'KL 3' (grade code), 'Kao 3' (grade code), 'Maycat 805' (trade name), 'N 301' (grade code), 'NSC 65659' (registry code), 'PC 5' (grade code) |
| 353,141 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/9eee47d4-d4d1-… | associations resolved on the elementary layer |
| 393,676 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H23N3"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H23N3"],… | typed the way the ontology types it |
| 402,806 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
PROV-O trail
22 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/20260822T0600486828500000/21956 | prefLabel | ef:agent/bootstrap_labels | ef:flow/9eee47d4-d4d1-4a1b-a2d9-afe4c35a8d49/v0 | ef:flow/9eee47d4-d4d1-4a1b-a2d9-afe4c35a8d49/v1 |
| ef:activity/change/20260822T0600486828500000/21957 | name | ef:agent/bootstrap_labels | ef:flow/9eee47d4-d4d1-4a1b-a2d9-afe4c35a8d49/v1 | ef:flow/9eee47d4-d4d1-4a1b-a2d9-afe4c35a8d49/v2 |
| ef:activity/change/20260822T0600486828500000/21958 | synonyms | ef:agent/bootstrap_labels | ef:flow/9eee47d4-d4d1-4a1b-a2d9-afe4c35a8d49/v2 | ef:flow/9eee47d4-d4d1-4a1b-a2d9-afe4c35a8d49/v3 |
| ef:activity/change/20260822T0600486828500000/144278 | context | ef:agent/default_context_mapping | ef:flow/9eee47d4-d4d1-4a1b-a2d9-afe4c35a8d49/v3 | ef:flow/9eee47d4-d4d1-4a1b-a2d9-afe4c35a8d49/v4 |
| ef:activity/change/20260822T0600486828500000/144279 | context_iri | ef:agent/default_context_mapping | ef:flow/9eee47d4-d4d1-4a1b-a2d9-afe4c35a8d49/v4 | ef:flow/9eee47d4-d4d1-4a1b-a2d9-afe4c35a8d49/v5 |
| ef:activity/change/20260822T0600486828500000/220363 | unit_iri | ef:agent/unit_normalization | ef:flow/9eee47d4-d4d1-4a1b-a2d9-afe4c35a8d49/v5 | ef:flow/9eee47d4-d4d1-4a1b-a2d9-afe4c35a8d49/v6 |
| ef:activity/change/20260822T0600486828500000/226055 | prefLabel | ef:agent/normalize_name_case | ef:flow/9eee47d4-d4d1-4a1b-a2d9-afe4c35a8d49/v6 | ef:flow/9eee47d4-d4d1-4a1b-a2d9-afe4c35a8d49/v7 |
| ef:activity/change/20260822T0600486828500000/247171 | properties | ef:agent/enrich_references | ef:flow/9eee47d4-d4d1-4a1b-a2d9-afe4c35a8d49/v7 | ef:flow/9eee47d4-d4d1-4a1b-a2d9-afe4c35a8d49/v8 |
| ef:activity/change/20260822T0600486828500000/247172 | skos_definition | ef:agent/enrich_references | ef:flow/9eee47d4-d4d1-4a1b-a2d9-afe4c35a8d49/v8 | ef:flow/9eee47d4-d4d1-4a1b-a2d9-afe4c35a8d49/v9 |
| ef:activity/change/20260822T0600486828500000/247173 | references | ef:agent/enrich_references | ef:flow/9eee47d4-d4d1-4a1b-a2d9-afe4c35a8d49/v9 | ef:flow/9eee47d4-d4d1-4a1b-a2d9-afe4c35a8d49/v10 |
| ef:activity/change/20260822T0600486828500000/254082 | properties | ef:agent/rdkit_pre_consensus | ef:flow/9eee47d4-d4d1-4a1b-a2d9-afe4c35a8d49/v10 | ef:flow/9eee47d4-d4d1-4a1b-a2d9-afe4c35a8d49/v11 |
| ef:activity/change/20260822T0600486828500000/257159 | altLabel | ef:agent/chebi_altlabels | ef:flow/9eee47d4-d4d1-4a1b-a2d9-afe4c35a8d49/v11 | ef:flow/9eee47d4-d4d1-4a1b-a2d9-afe4c35a8d49/v12 |
| ef:activity/change/20260822T0600486828500000/269434 | prefLabel | ef:agent/consensus_match | ef:flow/9eee47d4-d4d1-4a1b-a2d9-afe4c35a8d49/v12 | ef:flow/9eee47d4-d4d1-4a1b-a2d9-afe4c35a8d49/v13 |
| ef:activity/change/20260822T0600486828500000/269435 | altLabel | ef:agent/consensus_match | ef:flow/9eee47d4-d4d1-4a1b-a2d9-afe4c35a8d49/v13 | ef:flow/9eee47d4-d4d1-4a1b-a2d9-afe4c35a8d49/v14 |
| ef:activity/change/20260822T0600486828500000/269436 | altLabel | ef:agent/consensus_match | ef:flow/9eee47d4-d4d1-4a1b-a2d9-afe4c35a8d49/v14 | ef:flow/9eee47d4-d4d1-4a1b-a2d9-afe4c35a8d49/v15 |
| ef:activity/change/20260822T0600486828500000/269437 | cas_match_labels | ef:agent/consensus_match | ef:flow/9eee47d4-d4d1-4a1b-a2d9-afe4c35a8d49/v15 | ef:flow/9eee47d4-d4d1-4a1b-a2d9-afe4c35a8d49/v16 |
| ef:activity/change/20260822T0600486828500000/279285 | properties | ef:agent/opsin_iupac | ef:flow/9eee47d4-d4d1-4a1b-a2d9-afe4c35a8d49/v16 | ef:flow/9eee47d4-d4d1-4a1b-a2d9-afe4c35a8d49/v17 |
| ef:activity/change/20260822T0600486828500000/286153 | properties | ef:agent/rdkit_post_consensus | ef:flow/9eee47d4-d4d1-4a1b-a2d9-afe4c35a8d49/v17 | ef:flow/9eee47d4-d4d1-4a1b-a2d9-afe4c35a8d49/v18 |
| ef:activity/change/20260822T0600486828500000/291550 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/9eee47d4-d4d1-4a1b-a2d9-afe4c35a8d49/v18 | ef:flow/9eee47d4-d4d1-4a1b-a2d9-afe4c35a8d49/v19 |
| ef:activity/change/20260822T0600486828500000/353141 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/9eee47d4-d4d1-4a1b-a2d9-afe4c35a8d49/v19 | ef:flow/9eee47d4-d4d1-4a1b-a2d9-afe4c35a8d49/v20 |
| ef:activity/change/20260822T0600486828500000/393676 | properties | ef:agent/normalise_property_values | ef:flow/9eee47d4-d4d1-4a1b-a2d9-afe4c35a8d49/v20 | ef:flow/9eee47d4-d4d1-4a1b-a2d9-afe4c35a8d49/v21 |
| ef:activity/change/20260822T0600486828500000/402806 | types | ef:agent/link_flows_to_their_substance | ef:flow/9eee47d4-d4d1-4a1b-a2d9-afe4c35a8d49/v21 | ef:flow/9eee47d4-d4d1-4a1b-a2d9-afe4c35a8d49/v22 |