Trimethylhexane-1,6-diamine
Everything that changed this flow. Back to the flow
705dbb33-8f13-4b24-bba3-99253952bf95
By field
14 fields| Field | Changes | Written by | Latest note |
|---|---|---|---|
| properties | 5 | enrich_references, opsin_iupac, rdkit_post_consensus, rdkit_pre_consensus, withhold_ambiguous_mass | withhold_ambiguous_mass: removed molecular_mass, monoisotopic_mass; the flow carries 2 candidate structures, so no one mass describes it |
| altLabel | 2 | consensus_match, strip_catalogue_altlabels | Removed 1 catalogue altLabel value(s): 'Epicure 940' (trade name) |
| prefLabel | 2 | bootstrap_labels, normalize_name_case | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| cas_match_labels | 1 | consensus_match | group_key=trimethylhexane-1,6-diamine||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'25620-58-0': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-e44ce4eddd27accb: {'25620-58-0': '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 air > Emissions to air, unspecified |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified |
| ec_numbers | 1 | ec_cross_check | Resolved from EC-inventory: 247-134-8 from CAS 25620-58-0 |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['25620-58-0']; matched_chebi_ids=[]; candidate_pubchem_cids=[3033875, 12546508, 15089760]; selected_pubchem_cids=[3033875, 15089760]; 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
20| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 16,506 | bootstrap_labels | prefLabel | — | [{"@value":"trimethylhexane-1,6-diamine","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasA… | Bootstrapped prefLabel from legacy name field |
| 16,507 | bootstrap_labels | name | trimethylhexane-1,6-diamine | — | Purged legacy name field to enforce prefLabel usage |
| 16,508 | bootstrap_labels | synonyms | ["1,6-Hexanediamine, C,C,C-trimethyl-","5,6-dimethylheptane-1,6-diamine","AC1MHWH4","Trimethylhexamethylenediamine (2,2… | [] | Removed legacy synonyms field in favor of structured labels |
| 116,690 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified |
| 116,691 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified |
| 218,757 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 224,879 | normalize_name_case | prefLabel | [{"@value":"trimethylhexane-1,6-diamine","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasA… | [{"@value":"Trimethylhexane-1,6-diamine","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasA… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 227,008 | ec_cross_check | ec_numbers | [] | ["247-134-8"] | Resolved from EC-inventory: 247-134-8 from CAS 25620-58-0 |
| 242,701 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H22N2"],… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=2) |
| 242,702 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 242,703 | enrich_references | references | [] | [{"@id":"https://chem.echa.europa.eu/100.042.835","provenance":{"prov:wasGeneratedBy":"enrich_references.pubchem_identi… | Added references with provenance; cas_numbers=['25620-58-0']; matched_chebi_ids=[]; candidate_pubchem_cids=[3033875, 12546508, 15089760]; selected_pubchem_cids=[3033875, 15089760]; 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 |
| 252,790 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H22N2"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H22N2"],… | rdkit_pre_consensus from 'CC(CCCCN)C(C)(C)N'; added: molecular_mass, monoisotopic_mass |
| 273,007 | consensus_match | altLabel | [] | [{"@value":"1,6-Hexanediamine, <em>C</em>,<em>C</em>,<em>C</em>-trimethyl-","@language":"en","source":{"prov:wasGenerat… | group_key=trimethylhexane-1,6-diamine||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=25620-58-0; added Common Chemistry CAS names as altLabel: 1,6-Hexanediamine, <em>C</em>,<em>C</em>,<em>C</em>-trimethyl-, 1,6-Hexanediamine, trimethyl-, <em>C</em>,<em>C</em>,<em>C</em>-Trimethyl-1,6-hexanediamine, Epicure 940, Trimethyl-1,6-hexanediamine; object_uuid=fo-e44ce4eddd27accb |
| 273,008 | consensus_match | cas_match_labels | — | {"25620-58-0":"exactMatch"} | group_key=trimethylhexane-1,6-diamine||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'25620-58-0': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-e44ce4eddd27accb: {'25620-58-0': 'exactMatch'} |
| 277,991 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H22N2"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H22N2"],… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Trimethylhexane-1,6-diamine' |
| 284,719 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H22N2"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H22N2"],… | rdkit_post_consensus from 'CC(CCCCN)C(C)(C)N'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 287,088 | withhold_ambiguous_mass | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H22N2"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H22N2"],… | withhold_ambiguous_mass: removed molecular_mass, monoisotopic_mass; the flow carries 2 candidate structures, so no one mass describes it |
| 290,608 | strip_catalogue_altlabels | altLabel | [{"@value":"1,6-Hexanediamine, <em>C</em>,<em>C</em>,<em>C</em>-trimethyl-","@language":"en","source":{"prov:wasGenerat… | [{"@value":"1,6-Hexanediamine, C,C,C-trimethyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","pr… | Removed 1 catalogue altLabel value(s): 'Epicure 940' (trade name) |
| 339,344 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/705dbb33-8f13-… | associations resolved on the elementary layer |
| 400,775 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
PROV-O trail
20 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/20260821T1554374006150000/16506 | prefLabel | ef:agent/bootstrap_labels | ef:flow/705dbb33-8f13-4b24-bba3-99253952bf95/v0 | ef:flow/705dbb33-8f13-4b24-bba3-99253952bf95/v1 |
| ef:activity/change/20260821T1554374006150000/16507 | name | ef:agent/bootstrap_labels | ef:flow/705dbb33-8f13-4b24-bba3-99253952bf95/v1 | ef:flow/705dbb33-8f13-4b24-bba3-99253952bf95/v2 |
| ef:activity/change/20260821T1554374006150000/16508 | synonyms | ef:agent/bootstrap_labels | ef:flow/705dbb33-8f13-4b24-bba3-99253952bf95/v2 | ef:flow/705dbb33-8f13-4b24-bba3-99253952bf95/v3 |
| ef:activity/change/20260821T1554374006150000/116690 | context | ef:agent/default_context_mapping | ef:flow/705dbb33-8f13-4b24-bba3-99253952bf95/v3 | ef:flow/705dbb33-8f13-4b24-bba3-99253952bf95/v4 |
| ef:activity/change/20260821T1554374006150000/116691 | context_iri | ef:agent/default_context_mapping | ef:flow/705dbb33-8f13-4b24-bba3-99253952bf95/v4 | ef:flow/705dbb33-8f13-4b24-bba3-99253952bf95/v5 |
| ef:activity/change/20260821T1554374006150000/218757 | unit_iri | ef:agent/unit_normalization | ef:flow/705dbb33-8f13-4b24-bba3-99253952bf95/v5 | ef:flow/705dbb33-8f13-4b24-bba3-99253952bf95/v6 |
| ef:activity/change/20260821T1554374006150000/224879 | prefLabel | ef:agent/normalize_name_case | ef:flow/705dbb33-8f13-4b24-bba3-99253952bf95/v6 | ef:flow/705dbb33-8f13-4b24-bba3-99253952bf95/v7 |
| ef:activity/change/20260821T1554374006150000/227008 | ec_numbers | ef:agent/ec_cross_check | ef:flow/705dbb33-8f13-4b24-bba3-99253952bf95/v7 | ef:flow/705dbb33-8f13-4b24-bba3-99253952bf95/v8 |
| ef:activity/change/20260821T1554374006150000/242701 | properties | ef:agent/enrich_references | ef:flow/705dbb33-8f13-4b24-bba3-99253952bf95/v8 | ef:flow/705dbb33-8f13-4b24-bba3-99253952bf95/v9 |
| ef:activity/change/20260821T1554374006150000/242702 | skos_definition | ef:agent/enrich_references | ef:flow/705dbb33-8f13-4b24-bba3-99253952bf95/v9 | ef:flow/705dbb33-8f13-4b24-bba3-99253952bf95/v10 |
| ef:activity/change/20260821T1554374006150000/242703 | references | ef:agent/enrich_references | ef:flow/705dbb33-8f13-4b24-bba3-99253952bf95/v10 | ef:flow/705dbb33-8f13-4b24-bba3-99253952bf95/v11 |
| ef:activity/change/20260821T1554374006150000/252790 | properties | ef:agent/rdkit_pre_consensus | ef:flow/705dbb33-8f13-4b24-bba3-99253952bf95/v11 | ef:flow/705dbb33-8f13-4b24-bba3-99253952bf95/v12 |
| ef:activity/change/20260821T1554374006150000/273007 | altLabel | ef:agent/consensus_match | ef:flow/705dbb33-8f13-4b24-bba3-99253952bf95/v12 | ef:flow/705dbb33-8f13-4b24-bba3-99253952bf95/v13 |
| ef:activity/change/20260821T1554374006150000/273008 | cas_match_labels | ef:agent/consensus_match | ef:flow/705dbb33-8f13-4b24-bba3-99253952bf95/v13 | ef:flow/705dbb33-8f13-4b24-bba3-99253952bf95/v14 |
| ef:activity/change/20260821T1554374006150000/277991 | properties | ef:agent/opsin_iupac | ef:flow/705dbb33-8f13-4b24-bba3-99253952bf95/v14 | ef:flow/705dbb33-8f13-4b24-bba3-99253952bf95/v15 |
| ef:activity/change/20260821T1554374006150000/284719 | properties | ef:agent/rdkit_post_consensus | ef:flow/705dbb33-8f13-4b24-bba3-99253952bf95/v15 | ef:flow/705dbb33-8f13-4b24-bba3-99253952bf95/v16 |
| ef:activity/change/20260821T1554374006150000/287088 | properties | ef:agent/withhold_ambiguous_mass | ef:flow/705dbb33-8f13-4b24-bba3-99253952bf95/v16 | ef:flow/705dbb33-8f13-4b24-bba3-99253952bf95/v17 |
| ef:activity/change/20260821T1554374006150000/290608 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/705dbb33-8f13-4b24-bba3-99253952bf95/v17 | ef:flow/705dbb33-8f13-4b24-bba3-99253952bf95/v18 |
| ef:activity/change/20260821T1554374006150000/339344 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/705dbb33-8f13-4b24-bba3-99253952bf95/v18 | ef:flow/705dbb33-8f13-4b24-bba3-99253952bf95/v19 |
| ef:activity/change/20260821T1554374006150000/400775 | types | ef:agent/link_flows_to_their_substance | ef:flow/705dbb33-8f13-4b24-bba3-99253952bf95/v19 | ef:flow/705dbb33-8f13-4b24-bba3-99253952bf95/v20 |