Adipic Acid, Compound With Hexane-1,6-diamine (1:1)
Everything that changed this flow. Back to the flow
30b5e665-148e-4af8-baa7-58e6b7541cc9
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 |
| prefLabel | 2 | bootstrap_labels, normalize_name_case | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| altLabel | 1 | consensus_match | group_key=adipicacid,compoundwithhexane-1,6-diamine(1:1)||dimension=Environmental > media=Water > water_body=Ocean; cas=3323-53-3; added Common Chemistry CAS names as altLabel: 1,6-Hexanediamine, adipate (1:1), 1,6-Hexanediamine, hexanedioate (1:1), AG salt, Adipic acid hexamethylenediamine salt, Adipic acid, compd. with 1,6-hexanediamine, Adipic acid, compd. with 1,6-hexanediamine (1:1), Adipic acid-hexamethylenediamine salt (1:1), HA salt, Hexamethylenediamine adipate (1:1), Hexamethylenediamine monoadipate, Hexamethylenediamine-adipic acid salt, Hexamethylenediammonium adipate, Hexanedioic acid, compd. with 1,6-hexanediamine (1:1), Nylon 66 salt, Salt AG, Sel Nylon-AH salt; object_uuid=fo-fd7d71e3e31e9efd |
| cas_match_labels | 1 | consensus_match | group_key=adipicacid,compoundwithhexane-1,6-diamine(1:1)||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['ec_inventory', 'pubchem']; cas_sources={'3323-53-3': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-fd7d71e3e31e9efd: {'3323-53-3': '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 urban air close to ground |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to urban air close to ground |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['3323-53-3']; matched_chebi_ids=[]; candidate_pubchem_cids=[197024]; selected_pubchem_cids=[197024]; 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
18| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 16,347 | bootstrap_labels | prefLabel | — | [{"@value":"adipic acid, compound with hexane-1,6-diamine (1:1)","@language":"en","source":{"prov:wasGeneratedBy":"boot… | Bootstrapped prefLabel from legacy name field |
| 16,348 | bootstrap_labels | name | adipic acid, compound with hexane-1,6-diamine (1:1) | — | Purged legacy name field to enforce prefLabel usage |
| 16,349 | bootstrap_labels | synonyms | ["1,6-Hexanediamine, polymer with hexanedioic acid","AC1L52QZ","Adipan hexamethylendiaminu","Adipic acid hexamethylened… | [] | Removed legacy synonyms field in favor of structured labels |
| 68,932 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Ground level","population_density":"Urban (>1000 people/square mil… | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to urban air close to ground |
| 68,933 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-grle-ur10pesq | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to urban air close to ground |
| 218,705 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 224,845 | normalize_name_case | prefLabel | [{"@value":"adipic acid, compound with hexane-1,6-diamine (1:1)","@language":"en","source":{"prov:wasGeneratedBy":"boot… | [{"@value":"Adipic Acid, Compound With Hexane-1,6-diamine (1:1)","@language":"en","source":{"prov:wasGeneratedBy":"boot… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 242,552 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H26N2O4… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 242,553 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 242,554 | enrich_references | references | [] | [{"@id":"https://chem.echa.europa.eu/100.020.035","provenance":{"prov:wasGeneratedBy":"enrich_references.pubchem_identi… | Added references with provenance; cas_numbers=['3323-53-3']; matched_chebi_ids=[]; candidate_pubchem_cids=[197024]; selected_pubchem_cids=[197024]; 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 |
| 252,750 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H26N2O4… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H26N2O4… | rdkit_pre_consensus from 'C(CCCN)CCN.C(CCC(=O)O)CC(=O)O'; added: molecular_mass, monoisotopic_mass |
| 263,571 | consensus_match | altLabel | [] | [{"@value":"1,6-Hexanediamine, adipate (1:1)","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:… | group_key=adipicacid,compoundwithhexane-1,6-diamine(1:1)||dimension=Environmental > media=Water > water_body=Ocean; cas=3323-53-3; added Common Chemistry CAS names as altLabel: 1,6-Hexanediamine, adipate (1:1), 1,6-Hexanediamine, hexanedioate (1:1), AG salt, Adipic acid hexamethylenediamine salt, Adipic acid, compd. with 1,6-hexanediamine, Adipic acid, compd. with 1,6-hexanediamine (1:1), Adipic acid-hexamethylenediamine salt (1:1), HA salt, Hexamethylenediamine adipate (1:1), Hexamethylenediamine monoadipate, Hexamethylenediamine-adipic acid salt, Hexamethylenediammonium adipate, Hexanedioic acid, compd. with 1,6-hexanediamine (1:1), Nylon 66 salt, Salt AG, Sel Nylon-AH salt; object_uuid=fo-fd7d71e3e31e9efd |
| 263,572 | consensus_match | cas_match_labels | — | {"3323-53-3":"exactMatch"} | group_key=adipicacid,compoundwithhexane-1,6-diamine(1:1)||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['ec_inventory', 'pubchem']; cas_sources={'3323-53-3': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-fd7d71e3e31e9efd: {'3323-53-3': 'exactMatch'} |
| 277,954 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H26N2O4… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H26N2O4… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Adipic Acid, Compound With Hexane-1,6-diamine (1:1)' |
| 284,673 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H26N2O4… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H26N2O4… | rdkit_post_consensus from 'NCCCCCCN.O=C(O)CCCCC(=O)O'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 315,483 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/30b5e665-148e-… | associations resolved on the elementary layer |
| 392,305 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H26N2O4… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H26N2O4… | typed the way the ontology types it |
| 400,710 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/MolecularComplex"] | the substance's answer, copied onto its flow |
PROV-O trail
18 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/20260821T1554374006150000/16347 | prefLabel | ef:agent/bootstrap_labels | ef:flow/30b5e665-148e-4af8-baa7-58e6b7541cc9/v0 | ef:flow/30b5e665-148e-4af8-baa7-58e6b7541cc9/v1 |
| ef:activity/change/20260821T1554374006150000/16348 | name | ef:agent/bootstrap_labels | ef:flow/30b5e665-148e-4af8-baa7-58e6b7541cc9/v1 | ef:flow/30b5e665-148e-4af8-baa7-58e6b7541cc9/v2 |
| ef:activity/change/20260821T1554374006150000/16349 | synonyms | ef:agent/bootstrap_labels | ef:flow/30b5e665-148e-4af8-baa7-58e6b7541cc9/v2 | ef:flow/30b5e665-148e-4af8-baa7-58e6b7541cc9/v3 |
| ef:activity/change/20260821T1554374006150000/68932 | context | ef:agent/default_context_mapping | ef:flow/30b5e665-148e-4af8-baa7-58e6b7541cc9/v3 | ef:flow/30b5e665-148e-4af8-baa7-58e6b7541cc9/v4 |
| ef:activity/change/20260821T1554374006150000/68933 | context_iri | ef:agent/default_context_mapping | ef:flow/30b5e665-148e-4af8-baa7-58e6b7541cc9/v4 | ef:flow/30b5e665-148e-4af8-baa7-58e6b7541cc9/v5 |
| ef:activity/change/20260821T1554374006150000/218705 | unit_iri | ef:agent/unit_normalization | ef:flow/30b5e665-148e-4af8-baa7-58e6b7541cc9/v5 | ef:flow/30b5e665-148e-4af8-baa7-58e6b7541cc9/v6 |
| ef:activity/change/20260821T1554374006150000/224845 | prefLabel | ef:agent/normalize_name_case | ef:flow/30b5e665-148e-4af8-baa7-58e6b7541cc9/v6 | ef:flow/30b5e665-148e-4af8-baa7-58e6b7541cc9/v7 |
| ef:activity/change/20260821T1554374006150000/242552 | properties | ef:agent/enrich_references | ef:flow/30b5e665-148e-4af8-baa7-58e6b7541cc9/v7 | ef:flow/30b5e665-148e-4af8-baa7-58e6b7541cc9/v8 |
| ef:activity/change/20260821T1554374006150000/242553 | skos_definition | ef:agent/enrich_references | ef:flow/30b5e665-148e-4af8-baa7-58e6b7541cc9/v8 | ef:flow/30b5e665-148e-4af8-baa7-58e6b7541cc9/v9 |
| ef:activity/change/20260821T1554374006150000/242554 | references | ef:agent/enrich_references | ef:flow/30b5e665-148e-4af8-baa7-58e6b7541cc9/v9 | ef:flow/30b5e665-148e-4af8-baa7-58e6b7541cc9/v10 |
| ef:activity/change/20260821T1554374006150000/252750 | properties | ef:agent/rdkit_pre_consensus | ef:flow/30b5e665-148e-4af8-baa7-58e6b7541cc9/v10 | ef:flow/30b5e665-148e-4af8-baa7-58e6b7541cc9/v11 |
| ef:activity/change/20260821T1554374006150000/263571 | altLabel | ef:agent/consensus_match | ef:flow/30b5e665-148e-4af8-baa7-58e6b7541cc9/v11 | ef:flow/30b5e665-148e-4af8-baa7-58e6b7541cc9/v12 |
| ef:activity/change/20260821T1554374006150000/263572 | cas_match_labels | ef:agent/consensus_match | ef:flow/30b5e665-148e-4af8-baa7-58e6b7541cc9/v12 | ef:flow/30b5e665-148e-4af8-baa7-58e6b7541cc9/v13 |
| ef:activity/change/20260821T1554374006150000/277954 | properties | ef:agent/opsin_iupac | ef:flow/30b5e665-148e-4af8-baa7-58e6b7541cc9/v13 | ef:flow/30b5e665-148e-4af8-baa7-58e6b7541cc9/v14 |
| ef:activity/change/20260821T1554374006150000/284673 | properties | ef:agent/rdkit_post_consensus | ef:flow/30b5e665-148e-4af8-baa7-58e6b7541cc9/v14 | ef:flow/30b5e665-148e-4af8-baa7-58e6b7541cc9/v15 |
| ef:activity/change/20260821T1554374006150000/315483 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/30b5e665-148e-4af8-baa7-58e6b7541cc9/v15 | ef:flow/30b5e665-148e-4af8-baa7-58e6b7541cc9/v16 |
| ef:activity/change/20260821T1554374006150000/392305 | properties | ef:agent/normalise_property_values | ef:flow/30b5e665-148e-4af8-baa7-58e6b7541cc9/v16 | ef:flow/30b5e665-148e-4af8-baa7-58e6b7541cc9/v17 |
| ef:activity/change/20260821T1554374006150000/400710 | types | ef:agent/link_flows_to_their_substance | ef:flow/30b5e665-148e-4af8-baa7-58e6b7541cc9/v17 | ef:flow/30b5e665-148e-4af8-baa7-58e6b7541cc9/v18 |