Methyl 3-amino-2-pyrazinecarboxylate
Everything that changed this flow. Back to the flow
0017c7c1-f225-4d81-b57e-c00ddbd33d4f
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): 'NSC 123649' (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=methyl3-amino-2-pyrazinecarboxylate||dimension=Environmental > media=Air > strata=Medium stack, <150 meters > population_density=Rural (<1000 people/square mile); group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'16298-03-6': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-2388a407e1e74778: {'16298-03-6': '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 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 |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['16298-03-6']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_145238']; candidate_pubchem_cids=[72669, 135447048]; selected_pubchem_cids=[72669]; 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
20| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 102 | bootstrap_labels | prefLabel | — | [{"@value":"methyl 3-amino-2-pyrazinecarboxylate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","… | Bootstrapped prefLabel from legacy name field |
| 103 | bootstrap_labels | name | methyl 3-amino-2-pyrazinecarboxylate | — | Purged legacy name field to enforce prefLabel usage |
| 104 | bootstrap_labels | synonyms | ["organic","methyl3-aminopyrazinecarboxylate"] | [] | Removed legacy synonyms field in favor of structured labels |
| 25,960 | 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 |
| 25,961 | 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 |
| 213,372 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 221,121 | normalize_name_case | prefLabel | [{"@value":"methyl 3-amino-2-pyrazinecarboxylate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","… | [{"@value":"Methyl 3-amino-2-pyrazinecarboxylate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 227,265 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H7N3O2"]… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 227,266 | enrich_references | skos_definition | — | [{"@value":"A pyrazine that is substituted by a methoxycarbonyl group at position 2 and an amino group at position 3.",… | Merged ChEBI/PubChem definitions into skos:definition |
| 227,267 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J236.297J","provenance":{"prov:wasGeneratedBy":"enrich_referen… | Added references with provenance; cas_numbers=['16298-03-6']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_145238']; candidate_pubchem_cids=[72669, 135447048]; selected_pubchem_cids=[72669]; 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 |
| 248,338 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H7N3O2"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H7N3O2"]… | rdkit_pre_consensus from 'COC(=O)C1=NC=CN=C1N'; added: monoisotopic_mass |
| 254,403 | chebi_altlabels | altLabel | [] | [{"@value":"3-aminopyrazine-2-carboxylic acid methyl ester","@language":"en","source":{"prov:wasGeneratedBy":"chebi_alt… | Added 5 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 268,754 | consensus_match | altLabel | [{"@value":"3-aminopyrazine-2-carboxylic acid methyl ester","@language":"en","source":{"prov:wasGeneratedBy":"chebi_alt… | [{"@value":"3-aminopyrazine-2-carboxylic acid methyl ester","@language":"en","source":{"prov:wasGeneratedBy":"chebi_alt… | group_key=methyl3-amino-2-pyrazinecarboxylate||dimension=Environmental > media=Air > strata=Medium stack, <150 meters > population_density=Rural (<1000 people/square mile); cas=16298-03-6; added Common Chemistry CAS names as altLabel: 2-Amino-3-(methoxycarbonyl)pyrazine, 2-Pyrazinecarboxylic acid, 3-amino-, methyl ester, Methyl 2-aminopyrazine-3-carboxylate, NSC 123649, Pyrazinecarboxylic acid, 3-amino-, methyl ester, Pyrazinoic acid, 3-amino-, methyl ester; object_uuid=fo-2388a407e1e74778 |
| 268,755 | consensus_match | cas_match_labels | — | {"16298-03-6":"exactMatch"} | group_key=methyl3-amino-2-pyrazinecarboxylate||dimension=Environmental > media=Air > strata=Medium stack, <150 meters > population_density=Rural (<1000 people/square mile); group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'16298-03-6': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-2388a407e1e74778: {'16298-03-6': 'exactMatch'} |
| 273,481 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H7N3O2"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H7N3O2"]… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Methyl 3-amino-2-pyrazinecarboxylate' |
| 279,832 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H7N3O2"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H7N3O2"]… | rdkit_post_consensus from 'COC(=O)c1nccnc1N'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 287,289 | strip_catalogue_altlabels | altLabel | [{"@value":"3-aminopyrazine-2-carboxylic acid methyl ester","@language":"en","source":{"prov:wasGeneratedBy":"chebi_alt… | [{"@value":"3-aminopyrazine-2-carboxylic acid methyl ester","@language":"en","source":{"prov:wasGeneratedBy":"chebi_alt… | Removed 1 catalogue altLabel value(s): 'NSC 123649' (registry code) |
| 294,044 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/0017c7c1-f225-… | associations resolved on the elementary layer |
| 387,762 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H7N3O2"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H7N3O2"]… | typed the way the ontology types it |
| 394,226 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
PROV-O trail
20 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/20260820T0738569779880000/102 | prefLabel | ef:agent/bootstrap_labels | ef:flow/0017c7c1-f225-4d81-b57e-c00ddbd33d4f/v0 | ef:flow/0017c7c1-f225-4d81-b57e-c00ddbd33d4f/v1 |
| ef:activity/change/20260820T0738569779880000/103 | name | ef:agent/bootstrap_labels | ef:flow/0017c7c1-f225-4d81-b57e-c00ddbd33d4f/v1 | ef:flow/0017c7c1-f225-4d81-b57e-c00ddbd33d4f/v2 |
| ef:activity/change/20260820T0738569779880000/104 | synonyms | ef:agent/bootstrap_labels | ef:flow/0017c7c1-f225-4d81-b57e-c00ddbd33d4f/v2 | ef:flow/0017c7c1-f225-4d81-b57e-c00ddbd33d4f/v3 |
| ef:activity/change/20260820T0738569779880000/25960 | context | ef:agent/default_context_mapping | ef:flow/0017c7c1-f225-4d81-b57e-c00ddbd33d4f/v3 | ef:flow/0017c7c1-f225-4d81-b57e-c00ddbd33d4f/v4 |
| ef:activity/change/20260820T0738569779880000/25961 | context_iri | ef:agent/default_context_mapping | ef:flow/0017c7c1-f225-4d81-b57e-c00ddbd33d4f/v4 | ef:flow/0017c7c1-f225-4d81-b57e-c00ddbd33d4f/v5 |
| ef:activity/change/20260820T0738569779880000/213372 | unit_iri | ef:agent/unit_normalization | ef:flow/0017c7c1-f225-4d81-b57e-c00ddbd33d4f/v5 | ef:flow/0017c7c1-f225-4d81-b57e-c00ddbd33d4f/v6 |
| ef:activity/change/20260820T0738569779880000/221121 | prefLabel | ef:agent/normalize_name_case | ef:flow/0017c7c1-f225-4d81-b57e-c00ddbd33d4f/v6 | ef:flow/0017c7c1-f225-4d81-b57e-c00ddbd33d4f/v7 |
| ef:activity/change/20260820T0738569779880000/227265 | properties | ef:agent/enrich_references | ef:flow/0017c7c1-f225-4d81-b57e-c00ddbd33d4f/v7 | ef:flow/0017c7c1-f225-4d81-b57e-c00ddbd33d4f/v8 |
| ef:activity/change/20260820T0738569779880000/227266 | skos_definition | ef:agent/enrich_references | ef:flow/0017c7c1-f225-4d81-b57e-c00ddbd33d4f/v8 | ef:flow/0017c7c1-f225-4d81-b57e-c00ddbd33d4f/v9 |
| ef:activity/change/20260820T0738569779880000/227267 | references | ef:agent/enrich_references | ef:flow/0017c7c1-f225-4d81-b57e-c00ddbd33d4f/v9 | ef:flow/0017c7c1-f225-4d81-b57e-c00ddbd33d4f/v10 |
| ef:activity/change/20260820T0738569779880000/248338 | properties | ef:agent/rdkit_pre_consensus | ef:flow/0017c7c1-f225-4d81-b57e-c00ddbd33d4f/v10 | ef:flow/0017c7c1-f225-4d81-b57e-c00ddbd33d4f/v11 |
| ef:activity/change/20260820T0738569779880000/254403 | altLabel | ef:agent/chebi_altlabels | ef:flow/0017c7c1-f225-4d81-b57e-c00ddbd33d4f/v11 | ef:flow/0017c7c1-f225-4d81-b57e-c00ddbd33d4f/v12 |
| ef:activity/change/20260820T0738569779880000/268754 | altLabel | ef:agent/consensus_match | ef:flow/0017c7c1-f225-4d81-b57e-c00ddbd33d4f/v12 | ef:flow/0017c7c1-f225-4d81-b57e-c00ddbd33d4f/v13 |
| ef:activity/change/20260820T0738569779880000/268755 | cas_match_labels | ef:agent/consensus_match | ef:flow/0017c7c1-f225-4d81-b57e-c00ddbd33d4f/v13 | ef:flow/0017c7c1-f225-4d81-b57e-c00ddbd33d4f/v14 |
| ef:activity/change/20260820T0738569779880000/273481 | properties | ef:agent/opsin_iupac | ef:flow/0017c7c1-f225-4d81-b57e-c00ddbd33d4f/v14 | ef:flow/0017c7c1-f225-4d81-b57e-c00ddbd33d4f/v15 |
| ef:activity/change/20260820T0738569779880000/279832 | properties | ef:agent/rdkit_post_consensus | ef:flow/0017c7c1-f225-4d81-b57e-c00ddbd33d4f/v15 | ef:flow/0017c7c1-f225-4d81-b57e-c00ddbd33d4f/v16 |
| ef:activity/change/20260820T0738569779880000/287289 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/0017c7c1-f225-4d81-b57e-c00ddbd33d4f/v16 | ef:flow/0017c7c1-f225-4d81-b57e-c00ddbd33d4f/v17 |
| ef:activity/change/20260820T0738569779880000/294044 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/0017c7c1-f225-4d81-b57e-c00ddbd33d4f/v17 | ef:flow/0017c7c1-f225-4d81-b57e-c00ddbd33d4f/v18 |
| ef:activity/change/20260820T0738569779880000/387762 | properties | ef:agent/normalise_property_values | ef:flow/0017c7c1-f225-4d81-b57e-c00ddbd33d4f/v18 | ef:flow/0017c7c1-f225-4d81-b57e-c00ddbd33d4f/v19 |
| ef:activity/change/20260820T0738569779880000/394226 | types | ef:agent/link_flows_to_their_substance | ef:flow/0017c7c1-f225-4d81-b57e-c00ddbd33d4f/v19 | ef:flow/0017c7c1-f225-4d81-b57e-c00ddbd33d4f/v20 |