1,5-bis[1,2-bis(ethoxycarbonyl)ethylamino]-2-methylpentane
Everything that changed this flow. Back to the flow
da8d274a-28ed-4523-a84b-44ee471c98e6
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 |
| altLabel | 2 | consensus_match, dedupe_altlabels | Deduplicated altLabel values and removed entries matching prefLabel |
| cas_match_labels | 1 | consensus_match | group_key=1,5-bis[1,2-bis(ethoxycarbonyl)ethylamino]-2-methylpentane||dimension=Environmental > media=Water > water_body=Long-term; group_sources=[]; cas_sources={'168253-59-6': []}; assigned CAS labels from group consensus; object_uuid=fo-4a77ddbf7f9cf6b8: {'168253-59-6': '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 water > Emissions to fresh water |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to fresh water |
| 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=['168253-59-6']; matched_chebi_ids=[]; candidate_pubchem_cids=[44149873, 59677930]; selected_pubchem_cids=[59677930]; 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 |
|---|---|---|---|---|---|
| 14,663 | bootstrap_labels | prefLabel | — | [{"@value":"1,5-bis[1,2-bis(ethoxycarbonyl)ethylamino]-2-methylpentane","@language":"en","source":{"prov:wasGeneratedBy… | Bootstrapped prefLabel from legacy name field |
| 14,664 | bootstrap_labels | name | 1,5-bis[1,2-bis(ethoxycarbonyl)ethylamino]-2-methylpentane | — | Purged legacy name field to enforce prefLabel usage |
| 14,665 | bootstrap_labels | synonyms | ["organic","desmophennh1220"] | [] | Removed legacy synonyms field in favor of structured labels |
| 180,062 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Surface water"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to fresh water |
| 180,063 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-suwa | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to fresh water |
| 218,175 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 241,052 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C22H40N2O8… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 241,053 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 241,054 | enrich_references | references | [] | [{"@id":"https://commonchemistry.cas.org/detail?cas_rn=168253-59-6","provenance":{"prov:wasGeneratedBy":"enrich_referen… | Added references with provenance; cas_numbers=['168253-59-6']; matched_chebi_ids=[]; candidate_pubchem_cids=[44149873, 59677930]; selected_pubchem_cids=[59677930]; 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 |
| 252,310 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C22H40N2O8… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C22H40N2O8… | rdkit_pre_consensus from 'CCOC(=O)CC(C(=O)OCC)NCCCC(C)CNC(CC(=O)OCC)C(=O)OCC'; added: molecular_mass, monoisotopic_mass |
| 258,714 | consensus_match | altLabel | [] | [{"@value":"1,1′,4,4′-Tetraethyl <em>N</em>,<em>N</em>′-(2-methyl-1,5-pentanediyl)bis[aspartate]","@language":"en","sou… | group_key=1,5-bis[1,2-bis(ethoxycarbonyl)ethylamino]-2-methylpentane||dimension=Environmental > media=Water > water_body=Long-term; cas=168253-59-6; added Common Chemistry CAS names as altLabel: 1,1′,4,4′-Tetraethyl <em>N</em>,<em>N</em>′-(2-methyl-1,5-pentanediyl)bis[aspartate], <span class="text-smallcaps">DL</span>-Aspartic acid, <em>N</em>,<em>N</em>′-(2-methyl-1,5-pentanediyl)bis-, tetraethyl ester, Aspartic acid, <em>N</em>,<em>N</em>′-(2-methyl-1,5-pentanediyl)bis-, 1,1′,4,4′-tetraethyl ester, Aspartic acid, <em>N</em>,<em>N</em>′-(2-methyl-1,5-pentanediyl)bis-, tetraethyl ester, Feispartic F 220, Tetraethyl 2,2′-[(2-methylpentane-1,5-diyl)diimino]dibutanoate; object_uuid=fo-4a77ddbf7f9cf6b8 |
| 258,715 | consensus_match | cas_match_labels | — | {"168253-59-6":"exactMatch"} | group_key=1,5-bis[1,2-bis(ethoxycarbonyl)ethylamino]-2-methylpentane||dimension=Environmental > media=Water > water_body=Long-term; group_sources=[]; cas_sources={'168253-59-6': []}; assigned CAS labels from group consensus; object_uuid=fo-4a77ddbf7f9cf6b8: {'168253-59-6': 'exactMatch'} |
| 277,503 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C22H40N2O8… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C22H40N2O8… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '1,1′,4,4′-Tetraethyl N,N′-(2-methyl-1,5-pentanediyl)bis[aspartate]' |
| 284,190 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C22H40N2O8… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C22H40N2O8… | rdkit_post_consensus from 'CCOC(=O)C[C@H](NCCCC(C)CN[C@@H](CC(=O)OCC)C(=O)OCC)C(=O)OCC'; added: inchi2d_key_string; confirmed: smiles_string, inchi2d_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 292,760 | dedupe_altlabels | altLabel | [{"@value":"1,1′,4,4′-Tetraethyl <em>N</em>,<em>N</em>′-(2-methyl-1,5-pentanediyl)bis[aspartate]","@language":"en","sou… | [{"@value":"1,1′,4,4′-Tetraethyl N,N′-(2-methyl-1,5-pentanediyl)bis[aspartate]","@language":"en","source":{"prov:wasGen… | Deduplicated altLabel values and removed entries matching prefLabel |
| 371,050 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/da8d274a-28ed-… | associations resolved on the elementary layer |
| 391,853 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C22H40N2O8… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C22H40N2O8… | typed the way the ontology types it |
| 400,068 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
| 400,069 | link_flows_to_their_substance | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C22H40N2O8… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C22H40N2O8… | 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/20260820T1812399309960000/14663 | prefLabel | ef:agent/bootstrap_labels | ef:flow/da8d274a-28ed-4523-a84b-44ee471c98e6/v0 | ef:flow/da8d274a-28ed-4523-a84b-44ee471c98e6/v1 |
| ef:activity/change/20260820T1812399309960000/14664 | name | ef:agent/bootstrap_labels | ef:flow/da8d274a-28ed-4523-a84b-44ee471c98e6/v1 | ef:flow/da8d274a-28ed-4523-a84b-44ee471c98e6/v2 |
| ef:activity/change/20260820T1812399309960000/14665 | synonyms | ef:agent/bootstrap_labels | ef:flow/da8d274a-28ed-4523-a84b-44ee471c98e6/v2 | ef:flow/da8d274a-28ed-4523-a84b-44ee471c98e6/v3 |
| ef:activity/change/20260820T1812399309960000/180062 | context | ef:agent/default_context_mapping | ef:flow/da8d274a-28ed-4523-a84b-44ee471c98e6/v3 | ef:flow/da8d274a-28ed-4523-a84b-44ee471c98e6/v4 |
| ef:activity/change/20260820T1812399309960000/180063 | context_iri | ef:agent/default_context_mapping | ef:flow/da8d274a-28ed-4523-a84b-44ee471c98e6/v4 | ef:flow/da8d274a-28ed-4523-a84b-44ee471c98e6/v5 |
| ef:activity/change/20260820T1812399309960000/218175 | unit_iri | ef:agent/unit_normalization | ef:flow/da8d274a-28ed-4523-a84b-44ee471c98e6/v5 | ef:flow/da8d274a-28ed-4523-a84b-44ee471c98e6/v6 |
| ef:activity/change/20260820T1812399309960000/241052 | properties | ef:agent/enrich_references | ef:flow/da8d274a-28ed-4523-a84b-44ee471c98e6/v6 | ef:flow/da8d274a-28ed-4523-a84b-44ee471c98e6/v7 |
| ef:activity/change/20260820T1812399309960000/241053 | skos_definition | ef:agent/enrich_references | ef:flow/da8d274a-28ed-4523-a84b-44ee471c98e6/v7 | ef:flow/da8d274a-28ed-4523-a84b-44ee471c98e6/v8 |
| ef:activity/change/20260820T1812399309960000/241054 | references | ef:agent/enrich_references | ef:flow/da8d274a-28ed-4523-a84b-44ee471c98e6/v8 | ef:flow/da8d274a-28ed-4523-a84b-44ee471c98e6/v9 |
| ef:activity/change/20260820T1812399309960000/252310 | properties | ef:agent/rdkit_pre_consensus | ef:flow/da8d274a-28ed-4523-a84b-44ee471c98e6/v9 | ef:flow/da8d274a-28ed-4523-a84b-44ee471c98e6/v10 |
| ef:activity/change/20260820T1812399309960000/258714 | altLabel | ef:agent/consensus_match | ef:flow/da8d274a-28ed-4523-a84b-44ee471c98e6/v10 | ef:flow/da8d274a-28ed-4523-a84b-44ee471c98e6/v11 |
| ef:activity/change/20260820T1812399309960000/258715 | cas_match_labels | ef:agent/consensus_match | ef:flow/da8d274a-28ed-4523-a84b-44ee471c98e6/v11 | ef:flow/da8d274a-28ed-4523-a84b-44ee471c98e6/v12 |
| ef:activity/change/20260820T1812399309960000/277503 | properties | ef:agent/opsin_iupac | ef:flow/da8d274a-28ed-4523-a84b-44ee471c98e6/v12 | ef:flow/da8d274a-28ed-4523-a84b-44ee471c98e6/v13 |
| ef:activity/change/20260820T1812399309960000/284190 | properties | ef:agent/rdkit_post_consensus | ef:flow/da8d274a-28ed-4523-a84b-44ee471c98e6/v13 | ef:flow/da8d274a-28ed-4523-a84b-44ee471c98e6/v14 |
| ef:activity/change/20260820T1812399309960000/292760 | altLabel | ef:agent/dedupe_altlabels | ef:flow/da8d274a-28ed-4523-a84b-44ee471c98e6/v14 | ef:flow/da8d274a-28ed-4523-a84b-44ee471c98e6/v15 |
| ef:activity/change/20260820T1812399309960000/371050 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/da8d274a-28ed-4523-a84b-44ee471c98e6/v15 | ef:flow/da8d274a-28ed-4523-a84b-44ee471c98e6/v16 |
| ef:activity/change/20260820T1812399309960000/391853 | properties | ef:agent/normalise_property_values | ef:flow/da8d274a-28ed-4523-a84b-44ee471c98e6/v16 | ef:flow/da8d274a-28ed-4523-a84b-44ee471c98e6/v17 |
| ef:activity/change/20260820T1812399309960000/400068 | types | ef:agent/link_flows_to_their_substance | ef:flow/da8d274a-28ed-4523-a84b-44ee471c98e6/v17 | ef:flow/da8d274a-28ed-4523-a84b-44ee471c98e6/v18 |
| ef:activity/change/20260820T1812399309960000/400069 | properties | ef:agent/link_flows_to_their_substance | ef:flow/da8d274a-28ed-4523-a84b-44ee471c98e6/v18 | ef:flow/da8d274a-28ed-4523-a84b-44ee471c98e6/v19 |