1,2-dimethylpropylamine
Everything that changed this flow. Back to the flow
b110f6c6-c192-4f3a-8644-0b57dfb12585
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 | 1 | consensus_match | group_key=1,2-dimethylpropylamine||dimension=Environmental > media=Air > strata=Long-term; cas=598-74-3; added Common Chemistry CAS names as altLabel: (3-Methylbutan-2-yl)amine, (±)-3-Methyl-2-butanamine, (±)-3-Methyl-2-butylamine, 1,2-Dimethylpropanamine, 2-Amino-3-methylbutane, 2-Butanamine, 3-methyl-, 3-Methyl-2-aminobutane, 3-Methyl-2-butanamine, 3-Methyl-2-butylamine, Propylamine, 1,2-dimethyl-; object_uuid=fo-def61d8c5496d94a |
| cas_match_labels | 1 | consensus_match | group_key=1,2-dimethylpropylamine||dimension=Environmental > media=Air > strata=Long-term; group_sources=['ec_inventory', 'pubchem']; cas_sources={'598-74-3': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-def61d8c5496d94a: {'598-74-3': '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=['598-74-3']; matched_chebi_ids=[]; candidate_pubchem_cids=[11731, 6999786]; selected_pubchem_cids=[11731]; 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
17| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 6,115 | bootstrap_labels | prefLabel | — | [{"@value":"1,2-dimethylpropylamine","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttri… | Bootstrapped prefLabel from legacy name field |
| 6,116 | bootstrap_labels | name | 1,2-dimethylpropylamine | — | Purged legacy name field to enforce prefLabel usage |
| 6,117 | bootstrap_labels | synonyms | ["1,2-Dimethylpropanamine","1,2-dimethyl-propylamine","2-Amino-3-methylbutane","2-Butanamine, 3-methyl-","3-Methyl-2-bu… | [] | Removed legacy synonyms field in favor of structured labels |
| 155,162 | 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) |
| 155,163 | 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) |
| 215,383 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 233,062 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H13N"],"… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 233,063 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 233,064 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J71.080F","provenance":{"prov:wasGeneratedBy":"enrich_referenc… | Added references with provenance; cas_numbers=['598-74-3']; matched_chebi_ids=[]; candidate_pubchem_cids=[11731, 6999786]; selected_pubchem_cids=[11731]; 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 |
| 250,014 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H13N"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H13N"],"… | rdkit_pre_consensus from 'CC(C)C(C)N'; added: molecular_mass, monoisotopic_mass |
| 258,434 | consensus_match | altLabel | [] | [{"@value":"(3-Methylbutan-2-yl)amine","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttr… | group_key=1,2-dimethylpropylamine||dimension=Environmental > media=Air > strata=Long-term; cas=598-74-3; added Common Chemistry CAS names as altLabel: (3-Methylbutan-2-yl)amine, (±)-3-Methyl-2-butanamine, (±)-3-Methyl-2-butylamine, 1,2-Dimethylpropanamine, 2-Amino-3-methylbutane, 2-Butanamine, 3-methyl-, 3-Methyl-2-aminobutane, 3-Methyl-2-butanamine, 3-Methyl-2-butylamine, Propylamine, 1,2-dimethyl-; object_uuid=fo-def61d8c5496d94a |
| 258,435 | consensus_match | cas_match_labels | — | {"598-74-3":"exactMatch"} | group_key=1,2-dimethylpropylamine||dimension=Environmental > media=Air > strata=Long-term; group_sources=['ec_inventory', 'pubchem']; cas_sources={'598-74-3': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-def61d8c5496d94a: {'598-74-3': 'exactMatch'} |
| 275,148 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H13N"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H13N"],"… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '1,2-dimethylpropylamine' |
| 281,640 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H13N"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H13N"],"… | rdkit_post_consensus from 'CC(C)C(C)N'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 358,598 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/b110f6c6-c192-… | associations resolved on the elementary layer |
| 389,445 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H13N"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H13N"],"… | typed the way the ontology types it |
| 396,603 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
PROV-O trail
17 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/20260820T1812399309960000/6115 | prefLabel | ef:agent/bootstrap_labels | ef:flow/b110f6c6-c192-4f3a-8644-0b57dfb12585/v0 | ef:flow/b110f6c6-c192-4f3a-8644-0b57dfb12585/v1 |
| ef:activity/change/20260820T1812399309960000/6116 | name | ef:agent/bootstrap_labels | ef:flow/b110f6c6-c192-4f3a-8644-0b57dfb12585/v1 | ef:flow/b110f6c6-c192-4f3a-8644-0b57dfb12585/v2 |
| ef:activity/change/20260820T1812399309960000/6117 | synonyms | ef:agent/bootstrap_labels | ef:flow/b110f6c6-c192-4f3a-8644-0b57dfb12585/v2 | ef:flow/b110f6c6-c192-4f3a-8644-0b57dfb12585/v3 |
| ef:activity/change/20260820T1812399309960000/155162 | context | ef:agent/default_context_mapping | ef:flow/b110f6c6-c192-4f3a-8644-0b57dfb12585/v3 | ef:flow/b110f6c6-c192-4f3a-8644-0b57dfb12585/v4 |
| ef:activity/change/20260820T1812399309960000/155163 | context_iri | ef:agent/default_context_mapping | ef:flow/b110f6c6-c192-4f3a-8644-0b57dfb12585/v4 | ef:flow/b110f6c6-c192-4f3a-8644-0b57dfb12585/v5 |
| ef:activity/change/20260820T1812399309960000/215383 | unit_iri | ef:agent/unit_normalization | ef:flow/b110f6c6-c192-4f3a-8644-0b57dfb12585/v5 | ef:flow/b110f6c6-c192-4f3a-8644-0b57dfb12585/v6 |
| ef:activity/change/20260820T1812399309960000/233062 | properties | ef:agent/enrich_references | ef:flow/b110f6c6-c192-4f3a-8644-0b57dfb12585/v6 | ef:flow/b110f6c6-c192-4f3a-8644-0b57dfb12585/v7 |
| ef:activity/change/20260820T1812399309960000/233063 | skos_definition | ef:agent/enrich_references | ef:flow/b110f6c6-c192-4f3a-8644-0b57dfb12585/v7 | ef:flow/b110f6c6-c192-4f3a-8644-0b57dfb12585/v8 |
| ef:activity/change/20260820T1812399309960000/233064 | references | ef:agent/enrich_references | ef:flow/b110f6c6-c192-4f3a-8644-0b57dfb12585/v8 | ef:flow/b110f6c6-c192-4f3a-8644-0b57dfb12585/v9 |
| ef:activity/change/20260820T1812399309960000/250014 | properties | ef:agent/rdkit_pre_consensus | ef:flow/b110f6c6-c192-4f3a-8644-0b57dfb12585/v9 | ef:flow/b110f6c6-c192-4f3a-8644-0b57dfb12585/v10 |
| ef:activity/change/20260820T1812399309960000/258434 | altLabel | ef:agent/consensus_match | ef:flow/b110f6c6-c192-4f3a-8644-0b57dfb12585/v10 | ef:flow/b110f6c6-c192-4f3a-8644-0b57dfb12585/v11 |
| ef:activity/change/20260820T1812399309960000/258435 | cas_match_labels | ef:agent/consensus_match | ef:flow/b110f6c6-c192-4f3a-8644-0b57dfb12585/v11 | ef:flow/b110f6c6-c192-4f3a-8644-0b57dfb12585/v12 |
| ef:activity/change/20260820T1812399309960000/275148 | properties | ef:agent/opsin_iupac | ef:flow/b110f6c6-c192-4f3a-8644-0b57dfb12585/v12 | ef:flow/b110f6c6-c192-4f3a-8644-0b57dfb12585/v13 |
| ef:activity/change/20260820T1812399309960000/281640 | properties | ef:agent/rdkit_post_consensus | ef:flow/b110f6c6-c192-4f3a-8644-0b57dfb12585/v13 | ef:flow/b110f6c6-c192-4f3a-8644-0b57dfb12585/v14 |
| ef:activity/change/20260820T1812399309960000/358598 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/b110f6c6-c192-4f3a-8644-0b57dfb12585/v14 | ef:flow/b110f6c6-c192-4f3a-8644-0b57dfb12585/v15 |
| ef:activity/change/20260820T1812399309960000/389445 | properties | ef:agent/normalise_property_values | ef:flow/b110f6c6-c192-4f3a-8644-0b57dfb12585/v15 | ef:flow/b110f6c6-c192-4f3a-8644-0b57dfb12585/v16 |
| ef:activity/change/20260820T1812399309960000/396603 | types | ef:agent/link_flows_to_their_substance | ef:flow/b110f6c6-c192-4f3a-8644-0b57dfb12585/v16 | ef:flow/b110f6c6-c192-4f3a-8644-0b57dfb12585/v17 |