2,2-bis(bromomethyl)propane-1,3-diol
Everything that changed this flow. Back to the flow
859dd1b6-4d6b-4928-bdb2-5c3d42225d38
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 3 catalogue altLabel value(s): 'FR 1138' (grade code), 'FR 522' (grade code), 'NSC 9001' (registry code) |
| cas_match_labels | 1 | consensus_match | group_key=2,2-bis(bromomethyl)propane-1,3-diol||dimension=Environmental > media=Ground > geography=Non-agricultural; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'3296-90-0': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-e94e6d948a47e2df: {'3296-90-0': '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 soil, unspecified |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to soil, unspecified |
| 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=['3296-90-0']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_82294']; candidate_pubchem_cids=[18692, 53896741]; selected_pubchem_cids=[18692]; 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 |
|---|---|---|---|---|---|
| 15,070 | bootstrap_labels | prefLabel | — | [{"@value":"2,2-bis(bromomethyl)propane-1,3-diol","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","… | Bootstrapped prefLabel from legacy name field |
| 15,071 | bootstrap_labels | name | 2,2-bis(bromomethyl)propane-1,3-diol | — | Purged legacy name field to enforce prefLabel usage |
| 15,072 | bootstrap_labels | synonyms | ["1,3-Dibromo-2,2-dimethylolpropane","1,3-Propanediol, 2,2-bis(2-bromomethyl)-","1,3-Propanediol, 2,2-bis(bromomethyl)-… | [] | Removed legacy synonyms field in favor of structured labels |
| 129,262 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Ground","geography":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to soil, unspecified |
| 129,263 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-grou-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to soil, unspecified |
| 218,304 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 241,419 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H10Br2O2… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 241,420 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 241,421 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J12.967D","provenance":{"prov:wasGeneratedBy":"enrich_referenc… | Added references with provenance; cas_numbers=['3296-90-0']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_82294']; candidate_pubchem_cids=[18692, 53896741]; selected_pubchem_cids=[18692]; 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 |
| 252,420 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H10Br2O2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H10Br2O2… | rdkit_pre_consensus from 'C(C(CO)(CBr)CBr)O'; added: monoisotopic_mass |
| 256,389 | chebi_altlabels | altLabel | [] | [{"@value":"Pentaerythritol dibromide","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttr… | Added 1 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 259,592 | consensus_match | altLabel | [{"@value":"Pentaerythritol dibromide","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttr… | [{"@value":"Pentaerythritol dibromide","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttr… | group_key=2,2-bis(bromomethyl)propane-1,3-diol||dimension=Environmental > media=Ground > geography=Non-agricultural; cas=3296-90-0; added Common Chemistry CAS names as altLabel: 1,3-Dibromo-2,2-bis(hydroxymethyl)propane, 1,3-Dibromo-2,2-dihydroxymethylpropane, 1,3-Dibromo-2,2-dimethylolpropane, 1,3-Propanediol, 2,2-bis(bromomethyl)-, 2,2-Bis(bromomethyl)-1,3-propanediol, 2,2-Bis(bromomethyl)propan-1,3-diol, 2,2-Di(bromomethyl)-3-hydroxypropan-1-ol, 2,2-Dibromomethyl-1,3-propanediol, Dibromoneopentyl glycol, FR 1138, FR 522, NSC 9001, Pentaerythritol dibromohydrin; object_uuid=fo-e94e6d948a47e2df |
| 259,593 | consensus_match | cas_match_labels | — | {"3296-90-0":"exactMatch"} | group_key=2,2-bis(bromomethyl)propane-1,3-diol||dimension=Environmental > media=Ground > geography=Non-agricultural; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'3296-90-0': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-e94e6d948a47e2df: {'3296-90-0': 'exactMatch'} |
| 277,611 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H10Br2O2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H10Br2O2… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '2,2-bis(bromomethyl)propane-1,3-diol' |
| 284,307 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H10Br2O2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H10Br2O2… | rdkit_post_consensus from 'OCC(CO)(CBr)CBr'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 290,325 | strip_catalogue_altlabels | altLabel | [{"@value":"Pentaerythritol dibromide","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttr… | [{"@value":"Pentaerythritol dibromide","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttr… | Removed 3 catalogue altLabel value(s): 'FR 1138' (grade code), 'FR 522' (grade code), 'NSC 9001' (registry code) |
| 345,625 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/859dd1b6-4d6b-… | associations resolved on the elementary layer |
| 391,961 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H10Br2O2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H10Br2O2… | typed the way the ontology types it |
| 400,229 | 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/20260821T0609040591070000/15070 | prefLabel | ef:agent/bootstrap_labels | ef:flow/859dd1b6-4d6b-4928-bdb2-5c3d42225d38/v0 | ef:flow/859dd1b6-4d6b-4928-bdb2-5c3d42225d38/v1 |
| ef:activity/change/20260821T0609040591070000/15071 | name | ef:agent/bootstrap_labels | ef:flow/859dd1b6-4d6b-4928-bdb2-5c3d42225d38/v1 | ef:flow/859dd1b6-4d6b-4928-bdb2-5c3d42225d38/v2 |
| ef:activity/change/20260821T0609040591070000/15072 | synonyms | ef:agent/bootstrap_labels | ef:flow/859dd1b6-4d6b-4928-bdb2-5c3d42225d38/v2 | ef:flow/859dd1b6-4d6b-4928-bdb2-5c3d42225d38/v3 |
| ef:activity/change/20260821T0609040591070000/129262 | context | ef:agent/default_context_mapping | ef:flow/859dd1b6-4d6b-4928-bdb2-5c3d42225d38/v3 | ef:flow/859dd1b6-4d6b-4928-bdb2-5c3d42225d38/v4 |
| ef:activity/change/20260821T0609040591070000/129263 | context_iri | ef:agent/default_context_mapping | ef:flow/859dd1b6-4d6b-4928-bdb2-5c3d42225d38/v4 | ef:flow/859dd1b6-4d6b-4928-bdb2-5c3d42225d38/v5 |
| ef:activity/change/20260821T0609040591070000/218304 | unit_iri | ef:agent/unit_normalization | ef:flow/859dd1b6-4d6b-4928-bdb2-5c3d42225d38/v5 | ef:flow/859dd1b6-4d6b-4928-bdb2-5c3d42225d38/v6 |
| ef:activity/change/20260821T0609040591070000/241419 | properties | ef:agent/enrich_references | ef:flow/859dd1b6-4d6b-4928-bdb2-5c3d42225d38/v6 | ef:flow/859dd1b6-4d6b-4928-bdb2-5c3d42225d38/v7 |
| ef:activity/change/20260821T0609040591070000/241420 | skos_definition | ef:agent/enrich_references | ef:flow/859dd1b6-4d6b-4928-bdb2-5c3d42225d38/v7 | ef:flow/859dd1b6-4d6b-4928-bdb2-5c3d42225d38/v8 |
| ef:activity/change/20260821T0609040591070000/241421 | references | ef:agent/enrich_references | ef:flow/859dd1b6-4d6b-4928-bdb2-5c3d42225d38/v8 | ef:flow/859dd1b6-4d6b-4928-bdb2-5c3d42225d38/v9 |
| ef:activity/change/20260821T0609040591070000/252420 | properties | ef:agent/rdkit_pre_consensus | ef:flow/859dd1b6-4d6b-4928-bdb2-5c3d42225d38/v9 | ef:flow/859dd1b6-4d6b-4928-bdb2-5c3d42225d38/v10 |
| ef:activity/change/20260821T0609040591070000/256389 | altLabel | ef:agent/chebi_altlabels | ef:flow/859dd1b6-4d6b-4928-bdb2-5c3d42225d38/v10 | ef:flow/859dd1b6-4d6b-4928-bdb2-5c3d42225d38/v11 |
| ef:activity/change/20260821T0609040591070000/259592 | altLabel | ef:agent/consensus_match | ef:flow/859dd1b6-4d6b-4928-bdb2-5c3d42225d38/v11 | ef:flow/859dd1b6-4d6b-4928-bdb2-5c3d42225d38/v12 |
| ef:activity/change/20260821T0609040591070000/259593 | cas_match_labels | ef:agent/consensus_match | ef:flow/859dd1b6-4d6b-4928-bdb2-5c3d42225d38/v12 | ef:flow/859dd1b6-4d6b-4928-bdb2-5c3d42225d38/v13 |
| ef:activity/change/20260821T0609040591070000/277611 | properties | ef:agent/opsin_iupac | ef:flow/859dd1b6-4d6b-4928-bdb2-5c3d42225d38/v13 | ef:flow/859dd1b6-4d6b-4928-bdb2-5c3d42225d38/v14 |
| ef:activity/change/20260821T0609040591070000/284307 | properties | ef:agent/rdkit_post_consensus | ef:flow/859dd1b6-4d6b-4928-bdb2-5c3d42225d38/v14 | ef:flow/859dd1b6-4d6b-4928-bdb2-5c3d42225d38/v15 |
| ef:activity/change/20260821T0609040591070000/290325 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/859dd1b6-4d6b-4928-bdb2-5c3d42225d38/v15 | ef:flow/859dd1b6-4d6b-4928-bdb2-5c3d42225d38/v16 |
| ef:activity/change/20260821T0609040591070000/345625 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/859dd1b6-4d6b-4928-bdb2-5c3d42225d38/v16 | ef:flow/859dd1b6-4d6b-4928-bdb2-5c3d42225d38/v17 |
| ef:activity/change/20260821T0609040591070000/391961 | properties | ef:agent/normalise_property_values | ef:flow/859dd1b6-4d6b-4928-bdb2-5c3d42225d38/v17 | ef:flow/859dd1b6-4d6b-4928-bdb2-5c3d42225d38/v18 |
| ef:activity/change/20260821T0609040591070000/400229 | types | ef:agent/link_flows_to_their_substance | ef:flow/859dd1b6-4d6b-4928-bdb2-5c3d42225d38/v18 | ef:flow/859dd1b6-4d6b-4928-bdb2-5c3d42225d38/v19 |