1-[(2-hydroxypropyl)(tridecyl)amino]propan-2-ol
Everything that changed this flow. Back to the flow
d4a45d6c-21e6-461e-acfe-b4fcf2ba4251
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-hydroxypropyl)(tridecyl)amino]propan-2-ol||dimension=Environmental > media=Water > water_body=Ocean; cas=62889-66-1; added Common Chemistry CAS names as altLabel: 1,1′-(Tridecylimino)bis[2-propanol], 2-Propanol, 1,1′-(tridecylimino)bis-, 2-Propanol, 1,1′-(tridecylimino)di-, Tridecylbis(2-hydroxypropyl)amine; object_uuid=fo-588fc57952f695f3 |
| cas_match_labels | 1 | consensus_match | group_key=1-[(2-hydroxypropyl)(tridecyl)amino]propan-2-ol||dimension=Environmental > media=Water > water_body=Ocean; group_sources=[]; cas_sources={'62889-66-1': []}; assigned CAS labels from group consensus; object_uuid=fo-588fc57952f695f3: {'62889-66-1': '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 |
| prefLabel | 1 | bootstrap_labels | Bootstrapped prefLabel from legacy name field |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['62889-66-1']; matched_chebi_ids=[]; candidate_pubchem_cids=[21388520]; selected_pubchem_cids=[21388520]; 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 |
|---|---|---|---|---|---|
| 4,263 | bootstrap_labels | prefLabel | — | [{"@value":"1-[(2-hydroxypropyl)(tridecyl)amino]propan-2-ol","@language":"en","source":{"prov:wasGeneratedBy":"bootstra… | Bootstrapped prefLabel from legacy name field |
| 4,264 | bootstrap_labels | name | 1-[(2-hydroxypropyl)(tridecyl)amino]propan-2-ol | — | Purged legacy name field to enforce prefLabel usage |
| 4,265 | bootstrap_labels | synonyms | ["organic","2-propanol,1,1'","-(tridecylimino)bis-","2-propanol,1,1'","-(tridecylimino)bis-(9ci)","2-propanol,1… | [] | Removed legacy synonyms field in favor of structured labels |
| 175,734 | 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 |
| 175,735 | 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 |
| 214,763 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 231,281 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C19H41NO2"… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 231,282 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 231,283 | enrich_references | references | [] | [{"@id":"https://chem.echa.europa.eu/100.132.925","provenance":{"prov:wasGeneratedBy":"enrich_references.pubchem_identi… | Added references with provenance; cas_numbers=['62889-66-1']; matched_chebi_ids=[]; candidate_pubchem_cids=[21388520]; selected_pubchem_cids=[21388520]; 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 |
| 249,497 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C19H41NO2"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C19H41NO2"… | rdkit_pre_consensus from 'CCCCCCCCCCCCCN(CC(C)O)CC(C)O'; added: molecular_mass, monoisotopic_mass |
| 258,912 | consensus_match | altLabel | [] | [{"@value":"1,1′-(Tridecylimino)bis[2-propanol]","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","pr… | group_key=1-[(2-hydroxypropyl)(tridecyl)amino]propan-2-ol||dimension=Environmental > media=Water > water_body=Ocean; cas=62889-66-1; added Common Chemistry CAS names as altLabel: 1,1′-(Tridecylimino)bis[2-propanol], 2-Propanol, 1,1′-(tridecylimino)bis-, 2-Propanol, 1,1′-(tridecylimino)di-, Tridecylbis(2-hydroxypropyl)amine; object_uuid=fo-588fc57952f695f3 |
| 258,913 | consensus_match | cas_match_labels | — | {"62889-66-1":"exactMatch"} | group_key=1-[(2-hydroxypropyl)(tridecyl)amino]propan-2-ol||dimension=Environmental > media=Water > water_body=Ocean; group_sources=[]; cas_sources={'62889-66-1': []}; assigned CAS labels from group consensus; object_uuid=fo-588fc57952f695f3: {'62889-66-1': 'exactMatch'} |
| 274,630 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C19H41NO2"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C19H41NO2"… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '1-[(2-hydroxypropyl)(tridecyl)amino]propan-2-ol' |
| 281,079 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C19H41NO2"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C19H41NO2"… | rdkit_post_consensus from 'CCCCCCCCCCCCCN(CC(C)O)CC(C)O'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 368,884 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/d4a45d6c-21e6-… | associations resolved on the elementary layer |
| 388,928 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C19H41NO2"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C19H41NO2"… | typed the way the ontology types it |
| 395,869 | 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/20260820T1812399309960000/4263 | prefLabel | ef:agent/bootstrap_labels | ef:flow/d4a45d6c-21e6-461e-acfe-b4fcf2ba4251/v0 | ef:flow/d4a45d6c-21e6-461e-acfe-b4fcf2ba4251/v1 |
| ef:activity/change/20260820T1812399309960000/4264 | name | ef:agent/bootstrap_labels | ef:flow/d4a45d6c-21e6-461e-acfe-b4fcf2ba4251/v1 | ef:flow/d4a45d6c-21e6-461e-acfe-b4fcf2ba4251/v2 |
| ef:activity/change/20260820T1812399309960000/4265 | synonyms | ef:agent/bootstrap_labels | ef:flow/d4a45d6c-21e6-461e-acfe-b4fcf2ba4251/v2 | ef:flow/d4a45d6c-21e6-461e-acfe-b4fcf2ba4251/v3 |
| ef:activity/change/20260820T1812399309960000/175734 | context | ef:agent/default_context_mapping | ef:flow/d4a45d6c-21e6-461e-acfe-b4fcf2ba4251/v3 | ef:flow/d4a45d6c-21e6-461e-acfe-b4fcf2ba4251/v4 |
| ef:activity/change/20260820T1812399309960000/175735 | context_iri | ef:agent/default_context_mapping | ef:flow/d4a45d6c-21e6-461e-acfe-b4fcf2ba4251/v4 | ef:flow/d4a45d6c-21e6-461e-acfe-b4fcf2ba4251/v5 |
| ef:activity/change/20260820T1812399309960000/214763 | unit_iri | ef:agent/unit_normalization | ef:flow/d4a45d6c-21e6-461e-acfe-b4fcf2ba4251/v5 | ef:flow/d4a45d6c-21e6-461e-acfe-b4fcf2ba4251/v6 |
| ef:activity/change/20260820T1812399309960000/231281 | properties | ef:agent/enrich_references | ef:flow/d4a45d6c-21e6-461e-acfe-b4fcf2ba4251/v6 | ef:flow/d4a45d6c-21e6-461e-acfe-b4fcf2ba4251/v7 |
| ef:activity/change/20260820T1812399309960000/231282 | skos_definition | ef:agent/enrich_references | ef:flow/d4a45d6c-21e6-461e-acfe-b4fcf2ba4251/v7 | ef:flow/d4a45d6c-21e6-461e-acfe-b4fcf2ba4251/v8 |
| ef:activity/change/20260820T1812399309960000/231283 | references | ef:agent/enrich_references | ef:flow/d4a45d6c-21e6-461e-acfe-b4fcf2ba4251/v8 | ef:flow/d4a45d6c-21e6-461e-acfe-b4fcf2ba4251/v9 |
| ef:activity/change/20260820T1812399309960000/249497 | properties | ef:agent/rdkit_pre_consensus | ef:flow/d4a45d6c-21e6-461e-acfe-b4fcf2ba4251/v9 | ef:flow/d4a45d6c-21e6-461e-acfe-b4fcf2ba4251/v10 |
| ef:activity/change/20260820T1812399309960000/258912 | altLabel | ef:agent/consensus_match | ef:flow/d4a45d6c-21e6-461e-acfe-b4fcf2ba4251/v10 | ef:flow/d4a45d6c-21e6-461e-acfe-b4fcf2ba4251/v11 |
| ef:activity/change/20260820T1812399309960000/258913 | cas_match_labels | ef:agent/consensus_match | ef:flow/d4a45d6c-21e6-461e-acfe-b4fcf2ba4251/v11 | ef:flow/d4a45d6c-21e6-461e-acfe-b4fcf2ba4251/v12 |
| ef:activity/change/20260820T1812399309960000/274630 | properties | ef:agent/opsin_iupac | ef:flow/d4a45d6c-21e6-461e-acfe-b4fcf2ba4251/v12 | ef:flow/d4a45d6c-21e6-461e-acfe-b4fcf2ba4251/v13 |
| ef:activity/change/20260820T1812399309960000/281079 | properties | ef:agent/rdkit_post_consensus | ef:flow/d4a45d6c-21e6-461e-acfe-b4fcf2ba4251/v13 | ef:flow/d4a45d6c-21e6-461e-acfe-b4fcf2ba4251/v14 |
| ef:activity/change/20260820T1812399309960000/368884 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/d4a45d6c-21e6-461e-acfe-b4fcf2ba4251/v14 | ef:flow/d4a45d6c-21e6-461e-acfe-b4fcf2ba4251/v15 |
| ef:activity/change/20260820T1812399309960000/388928 | properties | ef:agent/normalise_property_values | ef:flow/d4a45d6c-21e6-461e-acfe-b4fcf2ba4251/v15 | ef:flow/d4a45d6c-21e6-461e-acfe-b4fcf2ba4251/v16 |
| ef:activity/change/20260820T1812399309960000/395869 | types | ef:agent/link_flows_to_their_substance | ef:flow/d4a45d6c-21e6-461e-acfe-b4fcf2ba4251/v16 | ef:flow/d4a45d6c-21e6-461e-acfe-b4fcf2ba4251/v17 |