2-dimethylaminoethanol
Everything that changed this flow. Back to the flow
e8a8daba-905e-4f5c-98e1-9c88c0a1bba6
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 | 3 | chebi_altlabels, consensus_match, strip_catalogue_altlabels | Removed 4 catalogue altLabel value(s): 'D 0649' (grade code), 'MA 95' (grade code), 'NSC 2652' (registry code), 'T 80' (grade code) |
| cas_match_labels | 1 | consensus_match | group_key=2-dimethylaminoethanol||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'108-01-0': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-c6f6446444ec69a0: {'108-01-0': '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 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 |
| prefLabel | 1 | bootstrap_labels | Bootstrapped prefLabel from legacy name field |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['108-01-0']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_271436']; candidate_pubchem_cids=[7902, 10338, 15222350]; selected_pubchem_cids=[7902]; 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 |
|---|---|---|---|---|---|
| 15,866 | bootstrap_labels | prefLabel | — | [{"@value":"2-dimethylaminoethanol","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttrib… | Bootstrapped prefLabel from legacy name field |
| 15,867 | bootstrap_labels | name | 2-dimethylaminoethanol | — | Purged legacy name field to enforce prefLabel usage |
| 15,868 | bootstrap_labels | synonyms | ["(2-Hydroxyethyl)dimethylamine","(Dimethylamino)ethanol",".beta.-(Dimethylamino)ethanol",".beta.-Dimethylaminoethyl al… | [] | Removed legacy synonyms field in favor of structured labels |
| 189,074 | 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) |
| 189,075 | 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) |
| 218,553 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 242,120 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H11NO"],… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 242,121 | enrich_references | skos_definition | — | [{"@value":"A tertiary amine that is ethanolamine having two N-methyl substituents.","@language":"en","provenance":{"pr… | Merged ChEBI/PubChem definitions into skos:definition |
| 242,122 | enrich_references | references | [] | [{"@id":"drugcentral:787","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedTo":"c… | Added references with provenance; cas_numbers=['108-01-0']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_271436']; candidate_pubchem_cids=[7902, 10338, 15222350]; selected_pubchem_cids=[7902]; 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 |
| 252,624 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H11NO"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H11NO"],… | rdkit_pre_consensus from 'CN(C)CCO'; added: monoisotopic_mass |
| 256,482 | chebi_altlabels | altLabel | [] | [{"@value":"(2-Hydroxyethyl)dimethylamine","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:was… | Added 26 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 260,748 | consensus_match | altLabel | [{"@value":"(2-Hydroxyethyl)dimethylamine","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:was… | [{"@value":"(2-Hydroxyethyl)dimethylamine","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:was… | group_key=2-dimethylaminoethanol||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=108-01-0; added Common Chemistry CAS names as altLabel: (<em>N</em>,<em>N</em>-Dimethylamino)ethanol, (Dimethylamino)ethanol, 2-(Dimethylamino)ethyl alcohol, <em>N</em>,<em>N</em>-Dimethyl(2-hydroxyethyl)amine, <em>N</em>,<em>N</em>-Dimethyl-2-ethanolamine, <em>N</em>,<em>N</em>-Dimethyl-<em>N</em>-(β-hydroxyethyl)amine, <em>N</em>,<em>N</em>-Dimethyl-β-hydroxyethylamine, <em>N</em>-(2-Hydroxyethyl)-<em>N</em>,<em>N</em>-dimethylamine, Amietol M 21, Aminoalcohol 2Mabs, Bimanol, D 0649, Dabco DMEA, DeuAdd MA 95, Dimethol, Dimethyl MEA, Ethanol, 2-(dimethylamino)-, Jeffcat DMEA, Kalpur P, Lupragen N 101, MA 95, NSC 2652, Niax DMEA, PC CAT DMEA, Rexolin, T 80, Tegoamin DMEA, Texacat DME, Texacat DMEA, Thancat DME, β-(Dimethylamino)ethanol, β-Dimethylaminoethyl alcohol, β-Hydroxyethyldimethylamine; object_uuid=fo-c6f6446444ec69a0 |
| 260,749 | consensus_match | cas_match_labels | — | {"108-01-0":"exactMatch"} | group_key=2-dimethylaminoethanol||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'108-01-0': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-c6f6446444ec69a0: {'108-01-0': 'exactMatch'} |
| 277,830 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H11NO"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H11NO"],… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '2-dimethylaminoethanol' |
| 284,536 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H11NO"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H11NO"],… | rdkit_post_consensus from 'CN(C)CCO'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 290,487 | strip_catalogue_altlabels | altLabel | [{"@value":"(2-Hydroxyethyl)dimethylamine","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:was… | [{"@value":"(2-Hydroxyethyl)dimethylamine","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:was… | Removed 4 catalogue altLabel value(s): 'D 0649' (grade code), 'MA 95' (grade code), 'NSC 2652' (registry code), 'T 80' (grade code) |
| 375,566 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/e8a8daba-905e-… | associations resolved on the elementary layer |
| 392,187 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H11NO"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H11NO"],… | typed the way the ontology types it |
| 400,528 | 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/20260821T1302361922970000/15866 | prefLabel | ef:agent/bootstrap_labels | ef:flow/e8a8daba-905e-4f5c-98e1-9c88c0a1bba6/v0 | ef:flow/e8a8daba-905e-4f5c-98e1-9c88c0a1bba6/v1 |
| ef:activity/change/20260821T1302361922970000/15867 | name | ef:agent/bootstrap_labels | ef:flow/e8a8daba-905e-4f5c-98e1-9c88c0a1bba6/v1 | ef:flow/e8a8daba-905e-4f5c-98e1-9c88c0a1bba6/v2 |
| ef:activity/change/20260821T1302361922970000/15868 | synonyms | ef:agent/bootstrap_labels | ef:flow/e8a8daba-905e-4f5c-98e1-9c88c0a1bba6/v2 | ef:flow/e8a8daba-905e-4f5c-98e1-9c88c0a1bba6/v3 |
| ef:activity/change/20260821T1302361922970000/189074 | context | ef:agent/default_context_mapping | ef:flow/e8a8daba-905e-4f5c-98e1-9c88c0a1bba6/v3 | ef:flow/e8a8daba-905e-4f5c-98e1-9c88c0a1bba6/v4 |
| ef:activity/change/20260821T1302361922970000/189075 | context_iri | ef:agent/default_context_mapping | ef:flow/e8a8daba-905e-4f5c-98e1-9c88c0a1bba6/v4 | ef:flow/e8a8daba-905e-4f5c-98e1-9c88c0a1bba6/v5 |
| ef:activity/change/20260821T1302361922970000/218553 | unit_iri | ef:agent/unit_normalization | ef:flow/e8a8daba-905e-4f5c-98e1-9c88c0a1bba6/v5 | ef:flow/e8a8daba-905e-4f5c-98e1-9c88c0a1bba6/v6 |
| ef:activity/change/20260821T1302361922970000/242120 | properties | ef:agent/enrich_references | ef:flow/e8a8daba-905e-4f5c-98e1-9c88c0a1bba6/v6 | ef:flow/e8a8daba-905e-4f5c-98e1-9c88c0a1bba6/v7 |
| ef:activity/change/20260821T1302361922970000/242121 | skos_definition | ef:agent/enrich_references | ef:flow/e8a8daba-905e-4f5c-98e1-9c88c0a1bba6/v7 | ef:flow/e8a8daba-905e-4f5c-98e1-9c88c0a1bba6/v8 |
| ef:activity/change/20260821T1302361922970000/242122 | references | ef:agent/enrich_references | ef:flow/e8a8daba-905e-4f5c-98e1-9c88c0a1bba6/v8 | ef:flow/e8a8daba-905e-4f5c-98e1-9c88c0a1bba6/v9 |
| ef:activity/change/20260821T1302361922970000/252624 | properties | ef:agent/rdkit_pre_consensus | ef:flow/e8a8daba-905e-4f5c-98e1-9c88c0a1bba6/v9 | ef:flow/e8a8daba-905e-4f5c-98e1-9c88c0a1bba6/v10 |
| ef:activity/change/20260821T1302361922970000/256482 | altLabel | ef:agent/chebi_altlabels | ef:flow/e8a8daba-905e-4f5c-98e1-9c88c0a1bba6/v10 | ef:flow/e8a8daba-905e-4f5c-98e1-9c88c0a1bba6/v11 |
| ef:activity/change/20260821T1302361922970000/260748 | altLabel | ef:agent/consensus_match | ef:flow/e8a8daba-905e-4f5c-98e1-9c88c0a1bba6/v11 | ef:flow/e8a8daba-905e-4f5c-98e1-9c88c0a1bba6/v12 |
| ef:activity/change/20260821T1302361922970000/260749 | cas_match_labels | ef:agent/consensus_match | ef:flow/e8a8daba-905e-4f5c-98e1-9c88c0a1bba6/v12 | ef:flow/e8a8daba-905e-4f5c-98e1-9c88c0a1bba6/v13 |
| ef:activity/change/20260821T1302361922970000/277830 | properties | ef:agent/opsin_iupac | ef:flow/e8a8daba-905e-4f5c-98e1-9c88c0a1bba6/v13 | ef:flow/e8a8daba-905e-4f5c-98e1-9c88c0a1bba6/v14 |
| ef:activity/change/20260821T1302361922970000/284536 | properties | ef:agent/rdkit_post_consensus | ef:flow/e8a8daba-905e-4f5c-98e1-9c88c0a1bba6/v14 | ef:flow/e8a8daba-905e-4f5c-98e1-9c88c0a1bba6/v15 |
| ef:activity/change/20260821T1302361922970000/290487 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/e8a8daba-905e-4f5c-98e1-9c88c0a1bba6/v15 | ef:flow/e8a8daba-905e-4f5c-98e1-9c88c0a1bba6/v16 |
| ef:activity/change/20260821T1302361922970000/375566 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/e8a8daba-905e-4f5c-98e1-9c88c0a1bba6/v16 | ef:flow/e8a8daba-905e-4f5c-98e1-9c88c0a1bba6/v17 |
| ef:activity/change/20260821T1302361922970000/392187 | properties | ef:agent/normalise_property_values | ef:flow/e8a8daba-905e-4f5c-98e1-9c88c0a1bba6/v17 | ef:flow/e8a8daba-905e-4f5c-98e1-9c88c0a1bba6/v18 |
| ef:activity/change/20260821T1302361922970000/400528 | types | ef:agent/link_flows_to_their_substance | ef:flow/e8a8daba-905e-4f5c-98e1-9c88c0a1bba6/v18 | ef:flow/e8a8daba-905e-4f5c-98e1-9c88c0a1bba6/v19 |