(trimethylammonio)acetate
Everything that changed this flow. Back to the flow
c9fab2a3-74e0-45c1-9fb9-0e630cfda566
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 1 catalogue altLabel value(s): 'NMF 50' (grade code) |
| cas_match_labels | 1 | consensus_match | group_key=(trimethylammonio)acetate||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'107-43-7': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-24f5b5861772abe1: {'107-43-7': '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 non-urban air or from high stacks |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to non-urban air or from high stacks |
| 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=['107-43-7']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_17750']; candidate_pubchem_cids=[247, 248, 227844]; selected_pubchem_cids=[247]; 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 |
|---|---|---|---|---|---|
| 147 | bootstrap_labels | prefLabel | — | [{"@value":"(trimethylammonio)acetate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAtt… | Bootstrapped prefLabel from legacy name field |
| 148 | bootstrap_labels | name | (trimethylammonio)acetate | — | Purged legacy name field to enforce prefLabel usage |
| 149 | bootstrap_labels | synonyms | ["organic","betaine","betafinâ®","betafrostâ®","greenstimâ?¢","naturalextractap","naturalextractbp20","nutristimâ®"] | [] | Removed legacy synonyms field in favor of structured labels |
| 169,374 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Medium stack, <150 meters","population_density":"Rural (<1000 peop… | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to non-urban air or from high stacks |
| 169,375 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-mest15me-ru10pesq | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to non-urban air or from high stacks |
| 213,387 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 227,309 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H11NO2"]… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 227,310 | enrich_references | skos_definition | — | [{"@value":"The amino acid betaine derived from glycine.","@language":"en","provenance":{"prov:wasGeneratedBy":"enrich_… | Merged ChEBI/PubChem definitions into skos:definition |
| 227,311 | enrich_references | references | [] | [{"@id":"drugcentral:347","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedTo":"c… | Added references with provenance; cas_numbers=['107-43-7']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_17750']; candidate_pubchem_cids=[247, 248, 227844]; selected_pubchem_cids=[247]; 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 |
| 248,351 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H11NO2"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H11NO2"]… | rdkit_pre_consensus from 'C[N+](C)(C)CC(=O)[O-]'; added: monoisotopic_mass |
| 254,407 | chebi_altlabels | altLabel | [] | [{"@value":"(trimethylammoniumyl)acetate","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasA… | Added 15 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 257,932 | consensus_match | altLabel | [{"@value":"(trimethylammoniumyl)acetate","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasA… | [{"@value":"(trimethylammoniumyl)acetate","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasA… | group_key=(trimethylammonio)acetate||dimension=Environmental > media=Air > indoor=Unknown; cas=107-43-7; added Common Chemistry CAS names as altLabel: (Carboxymethyl)trimethylammonium hydroxide inner salt, 2-(Trimethylazaniumyl)acetate, Agro FKC 540 K, Agro FKC 540K, Aminocoat, Ammonium compounds, substituted, (carboxymethyl)trimethyl-, hydroxide, inner salt, Aquadew AN 100, Auqadew AN 100, Betafin, Betafin BCR, Betafin BP, Betafin BP 20, Bluestim, Cystadane, Fencaijian, FinnStim, Genecare OSMS BA, Genencare OSMS BA, Genencare OSMS Pro, Glycine, trimethylbetaine, Glycocoll betaine, Glycylbetaine, Greenstim, Intracell, Loramine AMB 13, Lycine, Methanaminium, 1-carboxy-<em>N</em>,<em>N</em>,<em>N</em>-trimethyl-, hydroxide, inner salt, Methanaminium, 1-carboxy-<em>N</em>,<em>N</em>,<em>N</em>-trimethyl-, inner salt, NMF 50, Oxyneurine, Rubrine C, Tego Natural Betaine, Trimethylbetaine, α-Earleine; object_uuid=fo-24f5b5861772abe1 |
| 257,933 | consensus_match | cas_match_labels | — | {"107-43-7":"exactMatch"} | group_key=(trimethylammonio)acetate||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'107-43-7': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-24f5b5861772abe1: {'107-43-7': 'exactMatch'} |
| 273,495 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H11NO2"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H11NO2"]… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '(trimethylammonio)acetate' |
| 279,846 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H11NO2"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H11NO2"]… | rdkit_post_consensus from 'C[N+](C)(C)CC(=O)[O-]'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 287,298 | strip_catalogue_altlabels | altLabel | [{"@value":"(trimethylammoniumyl)acetate","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasA… | [{"@value":"(trimethylammoniumyl)acetate","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasA… | Removed 1 catalogue altLabel value(s): 'NMF 50' (grade code) |
| 365,733 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/c9fab2a3-74e0-… | associations resolved on the elementary layer |
| 387,773 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H11NO2"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H11NO2"]… | typed the way the ontology types it |
| 394,242 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/Zwitterion"] | 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/20260820T0738569779880000/147 | prefLabel | ef:agent/bootstrap_labels | ef:flow/c9fab2a3-74e0-45c1-9fb9-0e630cfda566/v0 | ef:flow/c9fab2a3-74e0-45c1-9fb9-0e630cfda566/v1 |
| ef:activity/change/20260820T0738569779880000/148 | name | ef:agent/bootstrap_labels | ef:flow/c9fab2a3-74e0-45c1-9fb9-0e630cfda566/v1 | ef:flow/c9fab2a3-74e0-45c1-9fb9-0e630cfda566/v2 |
| ef:activity/change/20260820T0738569779880000/149 | synonyms | ef:agent/bootstrap_labels | ef:flow/c9fab2a3-74e0-45c1-9fb9-0e630cfda566/v2 | ef:flow/c9fab2a3-74e0-45c1-9fb9-0e630cfda566/v3 |
| ef:activity/change/20260820T0738569779880000/169374 | context | ef:agent/default_context_mapping | ef:flow/c9fab2a3-74e0-45c1-9fb9-0e630cfda566/v3 | ef:flow/c9fab2a3-74e0-45c1-9fb9-0e630cfda566/v4 |
| ef:activity/change/20260820T0738569779880000/169375 | context_iri | ef:agent/default_context_mapping | ef:flow/c9fab2a3-74e0-45c1-9fb9-0e630cfda566/v4 | ef:flow/c9fab2a3-74e0-45c1-9fb9-0e630cfda566/v5 |
| ef:activity/change/20260820T0738569779880000/213387 | unit_iri | ef:agent/unit_normalization | ef:flow/c9fab2a3-74e0-45c1-9fb9-0e630cfda566/v5 | ef:flow/c9fab2a3-74e0-45c1-9fb9-0e630cfda566/v6 |
| ef:activity/change/20260820T0738569779880000/227309 | properties | ef:agent/enrich_references | ef:flow/c9fab2a3-74e0-45c1-9fb9-0e630cfda566/v6 | ef:flow/c9fab2a3-74e0-45c1-9fb9-0e630cfda566/v7 |
| ef:activity/change/20260820T0738569779880000/227310 | skos_definition | ef:agent/enrich_references | ef:flow/c9fab2a3-74e0-45c1-9fb9-0e630cfda566/v7 | ef:flow/c9fab2a3-74e0-45c1-9fb9-0e630cfda566/v8 |
| ef:activity/change/20260820T0738569779880000/227311 | references | ef:agent/enrich_references | ef:flow/c9fab2a3-74e0-45c1-9fb9-0e630cfda566/v8 | ef:flow/c9fab2a3-74e0-45c1-9fb9-0e630cfda566/v9 |
| ef:activity/change/20260820T0738569779880000/248351 | properties | ef:agent/rdkit_pre_consensus | ef:flow/c9fab2a3-74e0-45c1-9fb9-0e630cfda566/v9 | ef:flow/c9fab2a3-74e0-45c1-9fb9-0e630cfda566/v10 |
| ef:activity/change/20260820T0738569779880000/254407 | altLabel | ef:agent/chebi_altlabels | ef:flow/c9fab2a3-74e0-45c1-9fb9-0e630cfda566/v10 | ef:flow/c9fab2a3-74e0-45c1-9fb9-0e630cfda566/v11 |
| ef:activity/change/20260820T0738569779880000/257932 | altLabel | ef:agent/consensus_match | ef:flow/c9fab2a3-74e0-45c1-9fb9-0e630cfda566/v11 | ef:flow/c9fab2a3-74e0-45c1-9fb9-0e630cfda566/v12 |
| ef:activity/change/20260820T0738569779880000/257933 | cas_match_labels | ef:agent/consensus_match | ef:flow/c9fab2a3-74e0-45c1-9fb9-0e630cfda566/v12 | ef:flow/c9fab2a3-74e0-45c1-9fb9-0e630cfda566/v13 |
| ef:activity/change/20260820T0738569779880000/273495 | properties | ef:agent/opsin_iupac | ef:flow/c9fab2a3-74e0-45c1-9fb9-0e630cfda566/v13 | ef:flow/c9fab2a3-74e0-45c1-9fb9-0e630cfda566/v14 |
| ef:activity/change/20260820T0738569779880000/279846 | properties | ef:agent/rdkit_post_consensus | ef:flow/c9fab2a3-74e0-45c1-9fb9-0e630cfda566/v14 | ef:flow/c9fab2a3-74e0-45c1-9fb9-0e630cfda566/v15 |
| ef:activity/change/20260820T0738569779880000/287298 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/c9fab2a3-74e0-45c1-9fb9-0e630cfda566/v15 | ef:flow/c9fab2a3-74e0-45c1-9fb9-0e630cfda566/v16 |
| ef:activity/change/20260820T0738569779880000/365733 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/c9fab2a3-74e0-45c1-9fb9-0e630cfda566/v16 | ef:flow/c9fab2a3-74e0-45c1-9fb9-0e630cfda566/v17 |
| ef:activity/change/20260820T0738569779880000/387773 | properties | ef:agent/normalise_property_values | ef:flow/c9fab2a3-74e0-45c1-9fb9-0e630cfda566/v17 | ef:flow/c9fab2a3-74e0-45c1-9fb9-0e630cfda566/v18 |
| ef:activity/change/20260820T0738569779880000/394242 | types | ef:agent/link_flows_to_their_substance | ef:flow/c9fab2a3-74e0-45c1-9fb9-0e630cfda566/v18 | ef:flow/c9fab2a3-74e0-45c1-9fb9-0e630cfda566/v19 |