Methyl 5-amino-4-cyano-3-methylthiophene-2-carboxylate
Everything that changed this flow. Back to the flow
3e309358-3305-409f-81a3-1854333af2dc
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 |
| prefLabel | 2 | bootstrap_labels, normalize_name_case | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| altLabel | 1 | consensus_match | group_key=methyl5-amino-4-cyano-3-methylthiophene-2-carboxylate||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=61320-65-8; added Common Chemistry CAS names as altLabel: 2-Amino-3-Cyano-4-Methyl-5-Carbomethoxy Thiophene, 2-Amino-3-cyano-4-methylthiophene-5-carboxylic acid methyl ester, 2-Thiophenecarboxylic acid, 5-amino-4-cyano-3-methyl-, methyl ester, Methyl 5-amino-4-cyano-3-methyl-2-thiophenecarboxylate; object_uuid=fo-922f849ecbb773d9 |
| cas_match_labels | 1 | consensus_match | group_key=methyl5-amino-4-cyano-3-methylthiophene-2-carboxylate||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['pubchem']; cas_sources={'61320-65-8': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-922f849ecbb773d9: {'61320-65-8': '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 soil > Emissions to non-agricultural soil |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to non-agricultural soil |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['61320-65-8']; matched_chebi_ids=[]; candidate_pubchem_cids=[596903]; selected_pubchem_cids=[596903]; 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
18| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 3,941 | bootstrap_labels | prefLabel | — | [{"@value":"methyl 5-amino-4-cyano-3-methylthiophene-2-carboxylate","@language":"en","source":{"prov:wasGeneratedBy":"b… | Bootstrapped prefLabel from legacy name field |
| 3,942 | bootstrap_labels | name | methyl 5-amino-4-cyano-3-methylthiophene-2-carboxylate | — | Purged legacy name field to enforce prefLabel usage |
| 3,943 | bootstrap_labels | synonyms | ["organic"] | [] | Removed legacy synonyms field in favor of structured labels |
| 77,540 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Ground","geography":"Non-agricultural"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to non-agricultural soil |
| 77,541 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-grou-noag | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to non-agricultural soil |
| 214,657 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 221,995 | normalize_name_case | prefLabel | [{"@value":"methyl 5-amino-4-cyano-3-methylthiophene-2-carboxylate","@language":"en","source":{"prov:wasGeneratedBy":"b… | [{"@value":"Methyl 5-amino-4-cyano-3-methylthiophene-2-carboxylate","@language":"en","source":{"prov:wasGeneratedBy":"b… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 230,978 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H8N2O2S"… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 230,979 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 230,980 | enrich_references | references | [] | [{"@id":"https://chem.echa.europa.eu/100.148.884","provenance":{"prov:wasGeneratedBy":"enrich_references.pubchem_identi… | Added references with provenance; cas_numbers=['61320-65-8']; matched_chebi_ids=[]; candidate_pubchem_cids=[596903]; selected_pubchem_cids=[596903]; 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 |
| 249,412 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H8N2O2S"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H8N2O2S"… | rdkit_pre_consensus from 'CC1=C(SC(=C1C#N)N)C(=O)OC'; added: molecular_mass, monoisotopic_mass |
| 268,781 | consensus_match | altLabel | [] | [{"@value":"2-Amino-3-Cyano-4-Methyl-5-Carbomethoxy Thiophene","@language":"en","source":{"prov:wasGeneratedBy":"consen… | group_key=methyl5-amino-4-cyano-3-methylthiophene-2-carboxylate||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=61320-65-8; added Common Chemistry CAS names as altLabel: 2-Amino-3-Cyano-4-Methyl-5-Carbomethoxy Thiophene, 2-Amino-3-cyano-4-methylthiophene-5-carboxylic acid methyl ester, 2-Thiophenecarboxylic acid, 5-amino-4-cyano-3-methyl-, methyl ester, Methyl 5-amino-4-cyano-3-methyl-2-thiophenecarboxylate; object_uuid=fo-922f849ecbb773d9 |
| 268,782 | consensus_match | cas_match_labels | — | {"61320-65-8":"exactMatch"} | group_key=methyl5-amino-4-cyano-3-methylthiophene-2-carboxylate||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['pubchem']; cas_sources={'61320-65-8': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-922f849ecbb773d9: {'61320-65-8': 'exactMatch'} |
| 274,545 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H8N2O2S"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H8N2O2S"… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Methyl 5-amino-4-cyano-3-methylthiophene-2-carboxylate' |
| 280,990 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H8N2O2S"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H8N2O2S"… | rdkit_post_consensus from 'COC(=O)c1sc(N)c(C#N)c1C'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 319,784 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/3e309358-3305-… | associations resolved on the elementary layer |
| 388,846 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H8N2O2S"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H8N2O2S"… | typed the way the ontology types it |
| 395,753 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
PROV-O trail
18 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/20260822T0600486828500000/3941 | prefLabel | ef:agent/bootstrap_labels | ef:flow/3e309358-3305-409f-81a3-1854333af2dc/v0 | ef:flow/3e309358-3305-409f-81a3-1854333af2dc/v1 |
| ef:activity/change/20260822T0600486828500000/3942 | name | ef:agent/bootstrap_labels | ef:flow/3e309358-3305-409f-81a3-1854333af2dc/v1 | ef:flow/3e309358-3305-409f-81a3-1854333af2dc/v2 |
| ef:activity/change/20260822T0600486828500000/3943 | synonyms | ef:agent/bootstrap_labels | ef:flow/3e309358-3305-409f-81a3-1854333af2dc/v2 | ef:flow/3e309358-3305-409f-81a3-1854333af2dc/v3 |
| ef:activity/change/20260822T0600486828500000/77540 | context | ef:agent/default_context_mapping | ef:flow/3e309358-3305-409f-81a3-1854333af2dc/v3 | ef:flow/3e309358-3305-409f-81a3-1854333af2dc/v4 |
| ef:activity/change/20260822T0600486828500000/77541 | context_iri | ef:agent/default_context_mapping | ef:flow/3e309358-3305-409f-81a3-1854333af2dc/v4 | ef:flow/3e309358-3305-409f-81a3-1854333af2dc/v5 |
| ef:activity/change/20260822T0600486828500000/214657 | unit_iri | ef:agent/unit_normalization | ef:flow/3e309358-3305-409f-81a3-1854333af2dc/v5 | ef:flow/3e309358-3305-409f-81a3-1854333af2dc/v6 |
| ef:activity/change/20260822T0600486828500000/221995 | prefLabel | ef:agent/normalize_name_case | ef:flow/3e309358-3305-409f-81a3-1854333af2dc/v6 | ef:flow/3e309358-3305-409f-81a3-1854333af2dc/v7 |
| ef:activity/change/20260822T0600486828500000/230978 | properties | ef:agent/enrich_references | ef:flow/3e309358-3305-409f-81a3-1854333af2dc/v7 | ef:flow/3e309358-3305-409f-81a3-1854333af2dc/v8 |
| ef:activity/change/20260822T0600486828500000/230979 | skos_definition | ef:agent/enrich_references | ef:flow/3e309358-3305-409f-81a3-1854333af2dc/v8 | ef:flow/3e309358-3305-409f-81a3-1854333af2dc/v9 |
| ef:activity/change/20260822T0600486828500000/230980 | references | ef:agent/enrich_references | ef:flow/3e309358-3305-409f-81a3-1854333af2dc/v9 | ef:flow/3e309358-3305-409f-81a3-1854333af2dc/v10 |
| ef:activity/change/20260822T0600486828500000/249412 | properties | ef:agent/rdkit_pre_consensus | ef:flow/3e309358-3305-409f-81a3-1854333af2dc/v10 | ef:flow/3e309358-3305-409f-81a3-1854333af2dc/v11 |
| ef:activity/change/20260822T0600486828500000/268781 | altLabel | ef:agent/consensus_match | ef:flow/3e309358-3305-409f-81a3-1854333af2dc/v11 | ef:flow/3e309358-3305-409f-81a3-1854333af2dc/v12 |
| ef:activity/change/20260822T0600486828500000/268782 | cas_match_labels | ef:agent/consensus_match | ef:flow/3e309358-3305-409f-81a3-1854333af2dc/v12 | ef:flow/3e309358-3305-409f-81a3-1854333af2dc/v13 |
| ef:activity/change/20260822T0600486828500000/274545 | properties | ef:agent/opsin_iupac | ef:flow/3e309358-3305-409f-81a3-1854333af2dc/v13 | ef:flow/3e309358-3305-409f-81a3-1854333af2dc/v14 |
| ef:activity/change/20260822T0600486828500000/280990 | properties | ef:agent/rdkit_post_consensus | ef:flow/3e309358-3305-409f-81a3-1854333af2dc/v14 | ef:flow/3e309358-3305-409f-81a3-1854333af2dc/v15 |
| ef:activity/change/20260822T0600486828500000/319784 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/3e309358-3305-409f-81a3-1854333af2dc/v15 | ef:flow/3e309358-3305-409f-81a3-1854333af2dc/v16 |
| ef:activity/change/20260822T0600486828500000/388846 | properties | ef:agent/normalise_property_values | ef:flow/3e309358-3305-409f-81a3-1854333af2dc/v16 | ef:flow/3e309358-3305-409f-81a3-1854333af2dc/v17 |
| ef:activity/change/20260822T0600486828500000/395753 | types | ef:agent/link_flows_to_their_substance | ef:flow/3e309358-3305-409f-81a3-1854333af2dc/v17 | ef:flow/3e309358-3305-409f-81a3-1854333af2dc/v18 |