N,N'-bis(3-aminopropyl)piperazine
Everything that changed this flow. Back to the flow
78593807-40b1-4f08-a843-5ac01e6d4878
By field
13 fields| Field | Changes | Written by | Latest note |
|---|---|---|---|
| properties | 6 | enrich_references, link_flows_to_their_substance, normalise_property_values, opsin_iupac, rdkit_post_consensus, rdkit_pre_consensus | the substance's answer, copied onto its flow |
| prefLabel | 3 | bootstrap_labels, normalize_name_case, substance_label_v1 | the substance's name: N,N'-bis(3-aminopropyl)piperazine |
| altLabel | 2 | consensus_match, dedupe_altlabels | Deduplicated altLabel values and removed entries matching prefLabel |
| cas_match_labels | 1 | consensus_match | group_key=n,n'-bis(3-aminopropyl)piperazine||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['ec_inventory', 'pubchem']; cas_sources={'7209-38-3': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-dcab553c86f9c82a: {'7209-38-3': '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 air > Emissions to air, indoor |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, indoor |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['7209-38-3']; matched_chebi_ids=[]; candidate_pubchem_cids=[81629, 251452]; selected_pubchem_cids=[81629]; 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
21| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 23,782 | bootstrap_labels | prefLabel | — | [{"@value":"n,n'-bis(3-aminopropyl)piperazine","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","pro… | Bootstrapped prefLabel from legacy name field |
| 23,783 | bootstrap_labels | name | n,n'-bis(3-aminopropyl)piperazine | — | Purged legacy name field to enforce prefLabel usage |
| 23,784 | bootstrap_labels | synonyms | ["n,n'","-bis(3-aminopropyl)piperazine","1,4-bis(3-aminopropyl)piperazine","1,4-bis-(3-aminoprop-1-yl)piperazine","… | [] | Removed legacy synonyms field in favor of structured labels |
| 121,386 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","indoor":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, indoor |
| 121,387 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-indr-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, indoor |
| 217,241 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 226,361 | normalize_name_case | prefLabel | [{"@value":"n,n'-bis(3-aminopropyl)piperazine","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","pro… | [{"@value":"N,n'-bis(3-aminopropyl)piperazine","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","pro… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 238,383 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H24N4"]… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 238,384 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 238,385 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.148.520I","provenance":{"prov:wasGeneratedBy":"enrich_refer… | Added references with provenance; cas_numbers=['7209-38-3']; matched_chebi_ids=[]; candidate_pubchem_cids=[81629, 251452]; selected_pubchem_cids=[81629]; 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 |
| 251,536 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H24N4"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H24N4"]… | rdkit_pre_consensus from 'C1CN(CCN1CCCN)CCCN'; added: molecular_mass, monoisotopic_mass |
| 269,122 | consensus_match | altLabel | [] | [{"@value":"1,4-(3-Aminopropyl)piperazine","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:was… | group_key=n,n'-bis(3-aminopropyl)piperazine||dimension=Environmental > media=Water > water_body=Ocean; cas=7209-38-3; added Common Chemistry CAS names as altLabel: 1,4-(3-Aminopropyl)piperazine, 1,4-Bis(3-aminopropyl)piperazine, 1,4-Bis(3′-aminopropyl)piperazine, 1,4-Piperazinebis(propylamine), 1,4-Piperazinedipropanamine, 1,4-Piperazinedipropylamine, 3,3′-(Piperazine-1,4-diyl)bis(propan-1-amine), <em>N</em>,<em>N</em>′-Bis(3-aminopropyl)piperazine, <em>N</em>,<em>N</em>′-Bis(<em>N</em>-aminopropyl)piperazine, <em>N</em>,<em>N</em>′-Bis(γ-aminopropyl)piperazine, Bis(3-aminopropyl)piperazine, Piperazine, 1,4-bis(3-aminopropyl)-, [3-[4-(3-Aminopropyl)piperazin-1-yl]propyl]amine; object_uuid=fo-dcab553c86f9c82a |
| 269,123 | consensus_match | cas_match_labels | — | {"7209-38-3":"exactMatch"} | group_key=n,n'-bis(3-aminopropyl)piperazine||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['ec_inventory', 'pubchem']; cas_sources={'7209-38-3': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-dcab553c86f9c82a: {'7209-38-3': 'exactMatch'} |
| 279,556 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H24N4"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H24N4"]… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '1,4-Bis(3-aminopropyl)piperazine' |
| 286,439 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H24N4"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H24N4"]… | rdkit_post_consensus from 'NCCCN1CCN(CCCN)CC1'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 292,594 | dedupe_altlabels | altLabel | [{"@value":"1,4-(3-Aminopropyl)piperazine","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:was… | [{"@value":"1,4-(3-Aminopropyl)piperazine","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:was… | Deduplicated altLabel values and removed entries matching prefLabel |
| 341,691 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/78593807-40b1-… | associations resolved on the elementary layer |
| 393,953 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H24N4"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H24N4"]… | typed the way the ontology types it |
| 398,952 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
| 403,256 | link_flows_to_their_substance | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H24N4"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H24N4"]… | the substance's answer, copied onto its flow |
| 404,128 | substance_label_v1 | prefLabel | [{"@value":"N,n'-bis(3-aminopropyl)piperazine","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","pro… | [{"@value":"N,N'-bis(3-aminopropyl)piperazine","@language":"en","@lang":"en","source":{"prov:wasGeneratedBy":"substance… | the substance's name: N,N'-bis(3-aminopropyl)piperazine |
PROV-O trail
21 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/20260822T0600486828500000/23782 | prefLabel | ef:agent/bootstrap_labels | ef:flow/78593807-40b1-4f08-a843-5ac01e6d4878/v0 | ef:flow/78593807-40b1-4f08-a843-5ac01e6d4878/v1 |
| ef:activity/change/20260822T0600486828500000/23783 | name | ef:agent/bootstrap_labels | ef:flow/78593807-40b1-4f08-a843-5ac01e6d4878/v1 | ef:flow/78593807-40b1-4f08-a843-5ac01e6d4878/v2 |
| ef:activity/change/20260822T0600486828500000/23784 | synonyms | ef:agent/bootstrap_labels | ef:flow/78593807-40b1-4f08-a843-5ac01e6d4878/v2 | ef:flow/78593807-40b1-4f08-a843-5ac01e6d4878/v3 |
| ef:activity/change/20260822T0600486828500000/121386 | context | ef:agent/default_context_mapping | ef:flow/78593807-40b1-4f08-a843-5ac01e6d4878/v3 | ef:flow/78593807-40b1-4f08-a843-5ac01e6d4878/v4 |
| ef:activity/change/20260822T0600486828500000/121387 | context_iri | ef:agent/default_context_mapping | ef:flow/78593807-40b1-4f08-a843-5ac01e6d4878/v4 | ef:flow/78593807-40b1-4f08-a843-5ac01e6d4878/v5 |
| ef:activity/change/20260822T0600486828500000/217241 | unit_iri | ef:agent/unit_normalization | ef:flow/78593807-40b1-4f08-a843-5ac01e6d4878/v5 | ef:flow/78593807-40b1-4f08-a843-5ac01e6d4878/v6 |
| ef:activity/change/20260822T0600486828500000/226361 | prefLabel | ef:agent/normalize_name_case | ef:flow/78593807-40b1-4f08-a843-5ac01e6d4878/v6 | ef:flow/78593807-40b1-4f08-a843-5ac01e6d4878/v7 |
| ef:activity/change/20260822T0600486828500000/238383 | properties | ef:agent/enrich_references | ef:flow/78593807-40b1-4f08-a843-5ac01e6d4878/v7 | ef:flow/78593807-40b1-4f08-a843-5ac01e6d4878/v8 |
| ef:activity/change/20260822T0600486828500000/238384 | skos_definition | ef:agent/enrich_references | ef:flow/78593807-40b1-4f08-a843-5ac01e6d4878/v8 | ef:flow/78593807-40b1-4f08-a843-5ac01e6d4878/v9 |
| ef:activity/change/20260822T0600486828500000/238385 | references | ef:agent/enrich_references | ef:flow/78593807-40b1-4f08-a843-5ac01e6d4878/v9 | ef:flow/78593807-40b1-4f08-a843-5ac01e6d4878/v10 |
| ef:activity/change/20260822T0600486828500000/251536 | properties | ef:agent/rdkit_pre_consensus | ef:flow/78593807-40b1-4f08-a843-5ac01e6d4878/v10 | ef:flow/78593807-40b1-4f08-a843-5ac01e6d4878/v11 |
| ef:activity/change/20260822T0600486828500000/269122 | altLabel | ef:agent/consensus_match | ef:flow/78593807-40b1-4f08-a843-5ac01e6d4878/v11 | ef:flow/78593807-40b1-4f08-a843-5ac01e6d4878/v12 |
| ef:activity/change/20260822T0600486828500000/269123 | cas_match_labels | ef:agent/consensus_match | ef:flow/78593807-40b1-4f08-a843-5ac01e6d4878/v12 | ef:flow/78593807-40b1-4f08-a843-5ac01e6d4878/v13 |
| ef:activity/change/20260822T0600486828500000/279556 | properties | ef:agent/opsin_iupac | ef:flow/78593807-40b1-4f08-a843-5ac01e6d4878/v13 | ef:flow/78593807-40b1-4f08-a843-5ac01e6d4878/v14 |
| ef:activity/change/20260822T0600486828500000/286439 | properties | ef:agent/rdkit_post_consensus | ef:flow/78593807-40b1-4f08-a843-5ac01e6d4878/v14 | ef:flow/78593807-40b1-4f08-a843-5ac01e6d4878/v15 |
| ef:activity/change/20260822T0600486828500000/292594 | altLabel | ef:agent/dedupe_altlabels | ef:flow/78593807-40b1-4f08-a843-5ac01e6d4878/v15 | ef:flow/78593807-40b1-4f08-a843-5ac01e6d4878/v16 |
| ef:activity/change/20260822T0600486828500000/341691 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/78593807-40b1-4f08-a843-5ac01e6d4878/v16 | ef:flow/78593807-40b1-4f08-a843-5ac01e6d4878/v17 |
| ef:activity/change/20260822T0600486828500000/393953 | properties | ef:agent/normalise_property_values | ef:flow/78593807-40b1-4f08-a843-5ac01e6d4878/v17 | ef:flow/78593807-40b1-4f08-a843-5ac01e6d4878/v18 |
| ef:activity/change/20260822T0600486828500000/398952 | types | ef:agent/link_flows_to_their_substance | ef:flow/78593807-40b1-4f08-a843-5ac01e6d4878/v18 | ef:flow/78593807-40b1-4f08-a843-5ac01e6d4878/v19 |
| ef:activity/change/20260822T0600486828500000/403256 | properties | ef:agent/link_flows_to_their_substance | ef:flow/78593807-40b1-4f08-a843-5ac01e6d4878/v19 | ef:flow/78593807-40b1-4f08-a843-5ac01e6d4878/v20 |
| ef:activity/change/20260822T0600486828500000/404128 | prefLabel | ef:agent/substance_label_v1 | ef:flow/78593807-40b1-4f08-a843-5ac01e6d4878/v20 | ef:flow/78593807-40b1-4f08-a843-5ac01e6d4878/v21 |