2-nitropropane
Everything that changed this flow. Back to the flow
4d9a8790-3ddd-11dd-996b-0050c2490048
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 5369' (registry code) |
| cas_match_labels | 1 | consensus_match | group_key=2-nitropropane||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'79-46-9': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-fc27a2b842e9249e: {'79-46-9': '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 |
| prefLabel | 1 | bootstrap_labels | Bootstrapped prefLabel from legacy name field |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['79-46-9']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_16037']; candidate_pubchem_cids=[398, 69788]; selected_pubchem_cids=[398]; 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 |
|---|---|---|---|---|---|
| 22,724 | bootstrap_labels | prefLabel | — | [{"@value":"2-nitropropane","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":… | Bootstrapped prefLabel from legacy name field |
| 22,725 | bootstrap_labels | name | 2-nitropropane | — | Purged legacy name field to enforce prefLabel usage |
| 22,726 | bootstrap_labels | synonyms | ["2-NP","AB1004099","AC1L195A","AC1Q1NT2","AC1Q1NT3","AKOS000119973","BB_SC-7078","CPD-244","Dimethylnitromethane","Iso… | [] | Removed legacy synonyms field in favor of structured labels |
| 93,816 | 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 |
| 93,817 | 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 |
| 220,539 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 247,630 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H7NO2"],… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 247,631 | enrich_references | skos_definition | — | [{"@value":"A secondary nitroalkane that is propane in which a hydrogen at position 2 has been replaced by a nitro grou… | Merged ChEBI/PubChem definitions into skos:definition |
| 247,632 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.845H","provenance":{"prov:wasGeneratedBy":"enrich_reference… | Added references with provenance; cas_numbers=['79-46-9']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_16037']; candidate_pubchem_cids=[398, 69788]; selected_pubchem_cids=[398]; 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 |
| 254,218 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H7NO2"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H7NO2"],… | rdkit_pre_consensus from 'CC(C)[N+](=O)[O-]'; added: monoisotopic_mass |
| 257,250 | chebi_altlabels | altLabel | [] | [{"@value":"dimethylnitromethane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribute… | Added 4 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 261,236 | consensus_match | altLabel | [{"@value":"dimethylnitromethane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribute… | [{"@value":"dimethylnitromethane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribute… | group_key=2-nitropropane||dimension=Environmental > media=Ground > geography=Agricultural; cas=79-46-9; added Common Chemistry CAS names as altLabel: 1-Methylnitroethane, NSC 5369, Propane, 2-nitro-; object_uuid=fo-fc27a2b842e9249e |
| 261,237 | consensus_match | cas_match_labels | — | {"79-46-9":"exactMatch"} | group_key=2-nitropropane||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'79-46-9': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-fc27a2b842e9249e: {'79-46-9': 'exactMatch'} |
| 279,436 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H7NO2"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H7NO2"],… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '2-nitropropane' |
| 286,312 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H7NO2"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H7NO2"],… | rdkit_post_consensus from 'CC(C)[N+](=O)[O-]'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 291,666 | strip_catalogue_altlabels | altLabel | [{"@value":"dimethylnitromethane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribute… | [{"@value":"dimethylnitromethane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribute… | Removed 1 catalogue altLabel value(s): 'NSC 5369' (registry code) |
| 327,914 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/4d9a8790-3ddd-… | associations resolved on the elementary layer |
| 393,829 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H7NO2"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H7NO2"],… | typed the way the ontology types it |
| 403,023 | 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/20260821T1302361922970000/22724 | prefLabel | ef:agent/bootstrap_labels | ef:flow/4d9a8790-3ddd-11dd-996b-0050c2490048/v0 | ef:flow/4d9a8790-3ddd-11dd-996b-0050c2490048/v1 |
| ef:activity/change/20260821T1302361922970000/22725 | name | ef:agent/bootstrap_labels | ef:flow/4d9a8790-3ddd-11dd-996b-0050c2490048/v1 | ef:flow/4d9a8790-3ddd-11dd-996b-0050c2490048/v2 |
| ef:activity/change/20260821T1302361922970000/22726 | synonyms | ef:agent/bootstrap_labels | ef:flow/4d9a8790-3ddd-11dd-996b-0050c2490048/v2 | ef:flow/4d9a8790-3ddd-11dd-996b-0050c2490048/v3 |
| ef:activity/change/20260821T1302361922970000/93816 | context | ef:agent/default_context_mapping | ef:flow/4d9a8790-3ddd-11dd-996b-0050c2490048/v3 | ef:flow/4d9a8790-3ddd-11dd-996b-0050c2490048/v4 |
| ef:activity/change/20260821T1302361922970000/93817 | context_iri | ef:agent/default_context_mapping | ef:flow/4d9a8790-3ddd-11dd-996b-0050c2490048/v4 | ef:flow/4d9a8790-3ddd-11dd-996b-0050c2490048/v5 |
| ef:activity/change/20260821T1302361922970000/220539 | unit_iri | ef:agent/unit_normalization | ef:flow/4d9a8790-3ddd-11dd-996b-0050c2490048/v5 | ef:flow/4d9a8790-3ddd-11dd-996b-0050c2490048/v6 |
| ef:activity/change/20260821T1302361922970000/247630 | properties | ef:agent/enrich_references | ef:flow/4d9a8790-3ddd-11dd-996b-0050c2490048/v6 | ef:flow/4d9a8790-3ddd-11dd-996b-0050c2490048/v7 |
| ef:activity/change/20260821T1302361922970000/247631 | skos_definition | ef:agent/enrich_references | ef:flow/4d9a8790-3ddd-11dd-996b-0050c2490048/v7 | ef:flow/4d9a8790-3ddd-11dd-996b-0050c2490048/v8 |
| ef:activity/change/20260821T1302361922970000/247632 | references | ef:agent/enrich_references | ef:flow/4d9a8790-3ddd-11dd-996b-0050c2490048/v8 | ef:flow/4d9a8790-3ddd-11dd-996b-0050c2490048/v9 |
| ef:activity/change/20260821T1302361922970000/254218 | properties | ef:agent/rdkit_pre_consensus | ef:flow/4d9a8790-3ddd-11dd-996b-0050c2490048/v9 | ef:flow/4d9a8790-3ddd-11dd-996b-0050c2490048/v10 |
| ef:activity/change/20260821T1302361922970000/257250 | altLabel | ef:agent/chebi_altlabels | ef:flow/4d9a8790-3ddd-11dd-996b-0050c2490048/v10 | ef:flow/4d9a8790-3ddd-11dd-996b-0050c2490048/v11 |
| ef:activity/change/20260821T1302361922970000/261236 | altLabel | ef:agent/consensus_match | ef:flow/4d9a8790-3ddd-11dd-996b-0050c2490048/v11 | ef:flow/4d9a8790-3ddd-11dd-996b-0050c2490048/v12 |
| ef:activity/change/20260821T1302361922970000/261237 | cas_match_labels | ef:agent/consensus_match | ef:flow/4d9a8790-3ddd-11dd-996b-0050c2490048/v12 | ef:flow/4d9a8790-3ddd-11dd-996b-0050c2490048/v13 |
| ef:activity/change/20260821T1302361922970000/279436 | properties | ef:agent/opsin_iupac | ef:flow/4d9a8790-3ddd-11dd-996b-0050c2490048/v13 | ef:flow/4d9a8790-3ddd-11dd-996b-0050c2490048/v14 |
| ef:activity/change/20260821T1302361922970000/286312 | properties | ef:agent/rdkit_post_consensus | ef:flow/4d9a8790-3ddd-11dd-996b-0050c2490048/v14 | ef:flow/4d9a8790-3ddd-11dd-996b-0050c2490048/v15 |
| ef:activity/change/20260821T1302361922970000/291666 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/4d9a8790-3ddd-11dd-996b-0050c2490048/v15 | ef:flow/4d9a8790-3ddd-11dd-996b-0050c2490048/v16 |
| ef:activity/change/20260821T1302361922970000/327914 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/4d9a8790-3ddd-11dd-996b-0050c2490048/v16 | ef:flow/4d9a8790-3ddd-11dd-996b-0050c2490048/v17 |
| ef:activity/change/20260821T1302361922970000/393829 | properties | ef:agent/normalise_property_values | ef:flow/4d9a8790-3ddd-11dd-996b-0050c2490048/v17 | ef:flow/4d9a8790-3ddd-11dd-996b-0050c2490048/v18 |
| ef:activity/change/20260821T1302361922970000/403023 | types | ef:agent/link_flows_to_their_substance | ef:flow/4d9a8790-3ddd-11dd-996b-0050c2490048/v18 | ef:flow/4d9a8790-3ddd-11dd-996b-0050c2490048/v19 |