Tetraethyl N,n'-(methylenedicyclohexane-4,1-diyl)bis-dl-aspartate
Everything that changed this flow. Back to the flow
a574cca0-12a8-4cec-9f69-f9a8f16afca2
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 |
| 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=tetraethyln,n'-(methylenedicyclohexane-4,1-diyl)bis-dl-aspartate||dimension=Environmental > media=Air > strata=Long-term; group_sources=['pubchem']; cas_sources={'136210-30-5': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-31e154fd8d0fd76b: {'136210-30-5': '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 non-urban air or from high stacks |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to non-urban air or from high stacks |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['136210-30-5']; matched_chebi_ids=[]; candidate_pubchem_cids=[11272882, 44145393]; selected_pubchem_cids=[11272882]; 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 |
|---|---|---|---|---|---|
| 9,255 | bootstrap_labels | prefLabel | — | [{"@value":"tetraethyl n,n'-(methylenedicyclohexane-4,1-diyl)bis-dl-aspartate","@language":"en","source":{"prov:wasGene… | Bootstrapped prefLabel from legacy name field |
| 9,256 | bootstrap_labels | name | tetraethyl n,n'-(methylenedicyclohexane-4,1-diyl)bis-dl-aspartate | — | Purged legacy name field to enforce prefLabel usage |
| 9,257 | bootstrap_labels | synonyms | ["organic","desmophenpacxp7053","tetraethyln,n'","-(methylenedicyclohexane-4,1-diyl)bis-.sc.dl.sc.-aspartate","desm… | [] | Removed legacy synonyms field in favor of structured labels |
| 148,276 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Medium stack, <150 meters","population_density":"Rural (<1000 peop… | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to non-urban air or from high stacks |
| 148,277 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-mest15me-ru10pesq | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to non-urban air or from high stacks |
| 216,418 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 223,273 | normalize_name_case | prefLabel | [{"@value":"tetraethyl n,n'-(methylenedicyclohexane-4,1-diyl)bis-dl-aspartate","@language":"en","source":{"prov:wasGene… | [{"@value":"Tetraethyl N,n'-(methylenedicyclohexane-4,1-diyl)bis-dl-aspartate","@language":"en","source":{"prov:wasGene… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 236,036 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C29H50N2O8… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 236,037 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 236,038 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.982.925J","provenance":{"prov:wasGeneratedBy":"enrich_refer… | Added references with provenance; cas_numbers=['136210-30-5']; matched_chebi_ids=[]; candidate_pubchem_cids=[11272882, 44145393]; selected_pubchem_cids=[11272882]; 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 |
| 250,861 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C29H50N2O8… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C29H50N2O8… | rdkit_pre_consensus from 'CCOC(=O)CC(C(=O)OCC)NC1CCC(CC1)CC2CCC(CC2)NC(CC(=O)OCC)C(=O)OCC'; added: molecular_mass, monoisotopic_mass |
| 272,409 | consensus_match | altLabel | [] | [{"@value":"1,1′,4,4′-Tetraethyl <em>N</em>,<em>N</em>′-(methylenedi-4,1-cyclohexanediyl)bis[aspartate]","@language":"e… | group_key=tetraethyln,n'-(methylenedicyclohexane-4,1-diyl)bis-dl-aspartate||dimension=Environmental > media=Air > strata=Long-term; cas=136210-30-5; added Common Chemistry CAS names as altLabel: 1,1′,4,4′-Tetraethyl <em>N</em>,<em>N</em>′-(methylenedi-4,1-cyclohexanediyl)bis[aspartate], <span class="text-smallcaps">DL</span>-Aspartic acid, <em>N</em>,<em>N</em>′-(methylenedi-4,1-cyclohexanediyl)bis-, tetraethyl ester, Aspartic acid, <em>N</em>,<em>N</em>′-(methylenedi-4,1-cyclohexanediyl)bis-, 1,1′,4,4′-tetraethyl ester, Aspartic acid, <em>N</em>,<em>N</em>′-(methylenedi-4,1-cyclohexanediyl)bis-, tetraethyl ester, Desmophen LS 2973, Desmophen NH 1423LF, Desmophen XP 7068, Feispartic F 420; object_uuid=fo-31e154fd8d0fd76b |
| 272,410 | consensus_match | cas_match_labels | — | {"136210-30-5":"exactMatch"} | group_key=tetraethyln,n'-(methylenedicyclohexane-4,1-diyl)bis-dl-aspartate||dimension=Environmental > media=Air > strata=Long-term; group_sources=['pubchem']; cas_sources={'136210-30-5': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-31e154fd8d0fd76b: {'136210-30-5': 'exactMatch'} |
| 276,049 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C29H50N2O8… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C29H50N2O8… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '1,1′,4,4′-Tetraethyl N,N′-(methylenedi-4,1-cyclohexanediyl)bis[aspartate]' |
| 282,620 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C29H50N2O8… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C29H50N2O8… | rdkit_post_consensus from 'CCOC(=O)C[C@H](NC1CCC(CC2CCC(N[C@@H](CC(=O)OCC)C(=O)OCC)CC2)CC1)C(=O)OCC'; added: inchi2d_key_string; confirmed: smiles_string, inchi2d_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 292,434 | dedupe_altlabels | altLabel | [{"@value":"1,1′,4,4′-Tetraethyl <em>N</em>,<em>N</em>′-(methylenedi-4,1-cyclohexanediyl)bis[aspartate]","@language":"e… | [{"@value":"1,1′,4,4′-Tetraethyl N,N′-(methylenedi-4,1-cyclohexanediyl)bis[aspartate]","@language":"en","source":{"prov… | Deduplicated altLabel values and removed entries matching prefLabel |
| 355,160 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/a574cca0-12a8-… | associations resolved on the elementary layer |
| 390,394 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C29H50N2O8… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C29H50N2O8… | typed the way the ontology types it |
| 397,984 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
| 397,985 | link_flows_to_their_substance | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C29H50N2O8… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C29H50N2O8… | 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/20260821T1554374006150000/9255 | prefLabel | ef:agent/bootstrap_labels | ef:flow/a574cca0-12a8-4cec-9f69-f9a8f16afca2/v0 | ef:flow/a574cca0-12a8-4cec-9f69-f9a8f16afca2/v1 |
| ef:activity/change/20260821T1554374006150000/9256 | name | ef:agent/bootstrap_labels | ef:flow/a574cca0-12a8-4cec-9f69-f9a8f16afca2/v1 | ef:flow/a574cca0-12a8-4cec-9f69-f9a8f16afca2/v2 |
| ef:activity/change/20260821T1554374006150000/9257 | synonyms | ef:agent/bootstrap_labels | ef:flow/a574cca0-12a8-4cec-9f69-f9a8f16afca2/v2 | ef:flow/a574cca0-12a8-4cec-9f69-f9a8f16afca2/v3 |
| ef:activity/change/20260821T1554374006150000/148276 | context | ef:agent/default_context_mapping | ef:flow/a574cca0-12a8-4cec-9f69-f9a8f16afca2/v3 | ef:flow/a574cca0-12a8-4cec-9f69-f9a8f16afca2/v4 |
| ef:activity/change/20260821T1554374006150000/148277 | context_iri | ef:agent/default_context_mapping | ef:flow/a574cca0-12a8-4cec-9f69-f9a8f16afca2/v4 | ef:flow/a574cca0-12a8-4cec-9f69-f9a8f16afca2/v5 |
| ef:activity/change/20260821T1554374006150000/216418 | unit_iri | ef:agent/unit_normalization | ef:flow/a574cca0-12a8-4cec-9f69-f9a8f16afca2/v5 | ef:flow/a574cca0-12a8-4cec-9f69-f9a8f16afca2/v6 |
| ef:activity/change/20260821T1554374006150000/223273 | prefLabel | ef:agent/normalize_name_case | ef:flow/a574cca0-12a8-4cec-9f69-f9a8f16afca2/v6 | ef:flow/a574cca0-12a8-4cec-9f69-f9a8f16afca2/v7 |
| ef:activity/change/20260821T1554374006150000/236036 | properties | ef:agent/enrich_references | ef:flow/a574cca0-12a8-4cec-9f69-f9a8f16afca2/v7 | ef:flow/a574cca0-12a8-4cec-9f69-f9a8f16afca2/v8 |
| ef:activity/change/20260821T1554374006150000/236037 | skos_definition | ef:agent/enrich_references | ef:flow/a574cca0-12a8-4cec-9f69-f9a8f16afca2/v8 | ef:flow/a574cca0-12a8-4cec-9f69-f9a8f16afca2/v9 |
| ef:activity/change/20260821T1554374006150000/236038 | references | ef:agent/enrich_references | ef:flow/a574cca0-12a8-4cec-9f69-f9a8f16afca2/v9 | ef:flow/a574cca0-12a8-4cec-9f69-f9a8f16afca2/v10 |
| ef:activity/change/20260821T1554374006150000/250861 | properties | ef:agent/rdkit_pre_consensus | ef:flow/a574cca0-12a8-4cec-9f69-f9a8f16afca2/v10 | ef:flow/a574cca0-12a8-4cec-9f69-f9a8f16afca2/v11 |
| ef:activity/change/20260821T1554374006150000/272409 | altLabel | ef:agent/consensus_match | ef:flow/a574cca0-12a8-4cec-9f69-f9a8f16afca2/v11 | ef:flow/a574cca0-12a8-4cec-9f69-f9a8f16afca2/v12 |
| ef:activity/change/20260821T1554374006150000/272410 | cas_match_labels | ef:agent/consensus_match | ef:flow/a574cca0-12a8-4cec-9f69-f9a8f16afca2/v12 | ef:flow/a574cca0-12a8-4cec-9f69-f9a8f16afca2/v13 |
| ef:activity/change/20260821T1554374006150000/276049 | properties | ef:agent/opsin_iupac | ef:flow/a574cca0-12a8-4cec-9f69-f9a8f16afca2/v13 | ef:flow/a574cca0-12a8-4cec-9f69-f9a8f16afca2/v14 |
| ef:activity/change/20260821T1554374006150000/282620 | properties | ef:agent/rdkit_post_consensus | ef:flow/a574cca0-12a8-4cec-9f69-f9a8f16afca2/v14 | ef:flow/a574cca0-12a8-4cec-9f69-f9a8f16afca2/v15 |
| ef:activity/change/20260821T1554374006150000/292434 | altLabel | ef:agent/dedupe_altlabels | ef:flow/a574cca0-12a8-4cec-9f69-f9a8f16afca2/v15 | ef:flow/a574cca0-12a8-4cec-9f69-f9a8f16afca2/v16 |
| ef:activity/change/20260821T1554374006150000/355160 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/a574cca0-12a8-4cec-9f69-f9a8f16afca2/v16 | ef:flow/a574cca0-12a8-4cec-9f69-f9a8f16afca2/v17 |
| ef:activity/change/20260821T1554374006150000/390394 | properties | ef:agent/normalise_property_values | ef:flow/a574cca0-12a8-4cec-9f69-f9a8f16afca2/v17 | ef:flow/a574cca0-12a8-4cec-9f69-f9a8f16afca2/v18 |
| ef:activity/change/20260821T1554374006150000/397984 | types | ef:agent/link_flows_to_their_substance | ef:flow/a574cca0-12a8-4cec-9f69-f9a8f16afca2/v18 | ef:flow/a574cca0-12a8-4cec-9f69-f9a8f16afca2/v19 |
| ef:activity/change/20260821T1554374006150000/397985 | properties | ef:agent/link_flows_to_their_substance | ef:flow/a574cca0-12a8-4cec-9f69-f9a8f16afca2/v19 | ef:flow/a574cca0-12a8-4cec-9f69-f9a8f16afca2/v20 |