2-[(acetyloxy)methyl]-4-(2-amino-6-chloro-9h-purin-9-yl)butyl Acetate
Everything that changed this flow. Back to the flow
244b43f0-d105-4cea-aca0-2f448ca77c40
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 | 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=2-[(acetyloxy)methyl]-4-(2-amino-6-chloro-9h-purin-9-yl)butylacetate||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['pubchem']; cas_sources={'97845-60-8': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-a96e58f55458a177: {'97845-60-8': '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 (long-term) |
| 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 (long-term) |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['97845-60-8']; matched_chebi_ids=[]; candidate_pubchem_cids=[10155164]; selected_pubchem_cids=[10155164]; 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 |
|---|---|---|---|---|---|
| 4,831 | bootstrap_labels | prefLabel | — | [{"@value":"2-[(acetyloxy)methyl]-4-(2-amino-6-chloro-9h-purin-9-yl)butyl acetate","@language":"en","source":{"prov:was… | Bootstrapped prefLabel from legacy name field |
| 4,832 | bootstrap_labels | name | 2-[(acetyloxy)methyl]-4-(2-amino-6-chloro-9h-purin-9-yl)butyl acetate | — | Purged legacy name field to enforce prefLabel usage |
| 4,833 | bootstrap_labels | synonyms | ["1,3-propanediol,2-[2-(2-amino-6-chloro-9h-purin-9-yl)ethyl]-,1,3-diacetateothernames2-[2-(2-amino-6-chloro-9h-purin-9… | [] | Removed legacy synonyms field in favor of structured labels |
| 60,718 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Long-term"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified (long-term) |
| 60,719 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-lote | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified (long-term) |
| 214,953 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 222,207 | normalize_name_case | prefLabel | [{"@value":"2-[(acetyloxy)methyl]-4-(2-amino-6-chloro-9h-purin-9-yl)butyl acetate","@language":"en","source":{"prov:was… | [{"@value":"2-[(acetyloxy)methyl]-4-(2-amino-6-chloro-9h-purin-9-yl)butyl Acetate","@language":"en","source":{"prov:was… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 231,824 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H18ClN5… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 231,825 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 231,826 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.484.494E","provenance":{"prov:wasGeneratedBy":"enrich_refer… | Added references with provenance; cas_numbers=['97845-60-8']; matched_chebi_ids=[]; candidate_pubchem_cids=[10155164]; selected_pubchem_cids=[10155164]; 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 |
| 249,650 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H18ClN5… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H18ClN5… | rdkit_pre_consensus from 'CC(=O)OCC(CCN1C=NC2=C1N=C(N=C2Cl)N)COC(=O)C'; added: molecular_mass, monoisotopic_mass |
| 260,425 | consensus_match | altLabel | [] | [{"@value":"1,1′-[2-[2-(2-amino-6-chloro-9<em>H</em>-purin-9-yl)ethyl]-1,3-propanediyl] diacetate","@language":"en","so… | group_key=2-[(acetyloxy)methyl]-4-(2-amino-6-chloro-9h-purin-9-yl)butylacetate||dimension=Environmental > media=Air > indoor=Unknown; cas=97845-60-8; added Common Chemistry CAS names as altLabel: 1,1′-[2-[2-(2-amino-6-chloro-9<em>H</em>-purin-9-yl)ethyl]-1,3-propanediyl] diacetate, 1,3-Propanediol, 2-[2-(2-amino-6-chloro-9<em>H</em>-purin-9-yl)ethyl]-, 1,3-diacetate, 1,3-Propanediol, 2-[2-(2-amino-6-chloro-9<em>H</em>-purin-9-yl)ethyl]-, diacetate (ester), 2-Amino-6-chloro-9-(4-acetoxy-3-acetoxymethylbutyl)purine, 9-[4-Acetoxy-3-(acetoxymethyl)butyl]-2-amino-6-chloropurine, [2-(Acetyloxymethyl)-4-(2-amino-6-chloropurin-9-yl)butyl] acetate; object_uuid=fo-a96e58f55458a177 |
| 260,426 | consensus_match | cas_match_labels | — | {"97845-60-8":"exactMatch"} | group_key=2-[(acetyloxy)methyl]-4-(2-amino-6-chloro-9h-purin-9-yl)butylacetate||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['pubchem']; cas_sources={'97845-60-8': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-a96e58f55458a177: {'97845-60-8': 'exactMatch'} |
| 274,781 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H18ClN5… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H18ClN5… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '2-[(acetyloxy)methyl]-4-(2-amino-6-chloro-9h-purin-9-yl)butyl Acetate' |
| 281,251 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H18ClN5… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H18ClN5… | rdkit_post_consensus from 'CC(=O)OCC(CCn1cnc2c(Cl)nc(N)nc21)COC(C)=O'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 292,223 | dedupe_altlabels | altLabel | [{"@value":"1,1′-[2-[2-(2-amino-6-chloro-9<em>H</em>-purin-9-yl)ethyl]-1,3-propanediyl] diacetate","@language":"en","so… | [{"@value":"1,1′-[2-[2-(2-amino-6-chloro-9H-purin-9-yl)ethyl]-1,3-propanediyl] diacetate","@language":"en","source":{"p… | Deduplicated altLabel values and removed entries matching prefLabel |
| 311,376 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/244b43f0-d105-… | associations resolved on the elementary layer |
| 389,091 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H18ClN5… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H18ClN5… | typed the way the ontology types it |
| 396,100 | 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/20260821T1122181958110000/4831 | prefLabel | ef:agent/bootstrap_labels | ef:flow/244b43f0-d105-4cea-aca0-2f448ca77c40/v0 | ef:flow/244b43f0-d105-4cea-aca0-2f448ca77c40/v1 |
| ef:activity/change/20260821T1122181958110000/4832 | name | ef:agent/bootstrap_labels | ef:flow/244b43f0-d105-4cea-aca0-2f448ca77c40/v1 | ef:flow/244b43f0-d105-4cea-aca0-2f448ca77c40/v2 |
| ef:activity/change/20260821T1122181958110000/4833 | synonyms | ef:agent/bootstrap_labels | ef:flow/244b43f0-d105-4cea-aca0-2f448ca77c40/v2 | ef:flow/244b43f0-d105-4cea-aca0-2f448ca77c40/v3 |
| ef:activity/change/20260821T1122181958110000/60718 | context | ef:agent/default_context_mapping | ef:flow/244b43f0-d105-4cea-aca0-2f448ca77c40/v3 | ef:flow/244b43f0-d105-4cea-aca0-2f448ca77c40/v4 |
| ef:activity/change/20260821T1122181958110000/60719 | context_iri | ef:agent/default_context_mapping | ef:flow/244b43f0-d105-4cea-aca0-2f448ca77c40/v4 | ef:flow/244b43f0-d105-4cea-aca0-2f448ca77c40/v5 |
| ef:activity/change/20260821T1122181958110000/214953 | unit_iri | ef:agent/unit_normalization | ef:flow/244b43f0-d105-4cea-aca0-2f448ca77c40/v5 | ef:flow/244b43f0-d105-4cea-aca0-2f448ca77c40/v6 |
| ef:activity/change/20260821T1122181958110000/222207 | prefLabel | ef:agent/normalize_name_case | ef:flow/244b43f0-d105-4cea-aca0-2f448ca77c40/v6 | ef:flow/244b43f0-d105-4cea-aca0-2f448ca77c40/v7 |
| ef:activity/change/20260821T1122181958110000/231824 | properties | ef:agent/enrich_references | ef:flow/244b43f0-d105-4cea-aca0-2f448ca77c40/v7 | ef:flow/244b43f0-d105-4cea-aca0-2f448ca77c40/v8 |
| ef:activity/change/20260821T1122181958110000/231825 | skos_definition | ef:agent/enrich_references | ef:flow/244b43f0-d105-4cea-aca0-2f448ca77c40/v8 | ef:flow/244b43f0-d105-4cea-aca0-2f448ca77c40/v9 |
| ef:activity/change/20260821T1122181958110000/231826 | references | ef:agent/enrich_references | ef:flow/244b43f0-d105-4cea-aca0-2f448ca77c40/v9 | ef:flow/244b43f0-d105-4cea-aca0-2f448ca77c40/v10 |
| ef:activity/change/20260821T1122181958110000/249650 | properties | ef:agent/rdkit_pre_consensus | ef:flow/244b43f0-d105-4cea-aca0-2f448ca77c40/v10 | ef:flow/244b43f0-d105-4cea-aca0-2f448ca77c40/v11 |
| ef:activity/change/20260821T1122181958110000/260425 | altLabel | ef:agent/consensus_match | ef:flow/244b43f0-d105-4cea-aca0-2f448ca77c40/v11 | ef:flow/244b43f0-d105-4cea-aca0-2f448ca77c40/v12 |
| ef:activity/change/20260821T1122181958110000/260426 | cas_match_labels | ef:agent/consensus_match | ef:flow/244b43f0-d105-4cea-aca0-2f448ca77c40/v12 | ef:flow/244b43f0-d105-4cea-aca0-2f448ca77c40/v13 |
| ef:activity/change/20260821T1122181958110000/274781 | properties | ef:agent/opsin_iupac | ef:flow/244b43f0-d105-4cea-aca0-2f448ca77c40/v13 | ef:flow/244b43f0-d105-4cea-aca0-2f448ca77c40/v14 |
| ef:activity/change/20260821T1122181958110000/281251 | properties | ef:agent/rdkit_post_consensus | ef:flow/244b43f0-d105-4cea-aca0-2f448ca77c40/v14 | ef:flow/244b43f0-d105-4cea-aca0-2f448ca77c40/v15 |
| ef:activity/change/20260821T1122181958110000/292223 | altLabel | ef:agent/dedupe_altlabels | ef:flow/244b43f0-d105-4cea-aca0-2f448ca77c40/v15 | ef:flow/244b43f0-d105-4cea-aca0-2f448ca77c40/v16 |
| ef:activity/change/20260821T1122181958110000/311376 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/244b43f0-d105-4cea-aca0-2f448ca77c40/v16 | ef:flow/244b43f0-d105-4cea-aca0-2f448ca77c40/v17 |
| ef:activity/change/20260821T1122181958110000/389091 | properties | ef:agent/normalise_property_values | ef:flow/244b43f0-d105-4cea-aca0-2f448ca77c40/v17 | ef:flow/244b43f0-d105-4cea-aca0-2f448ca77c40/v18 |
| ef:activity/change/20260821T1122181958110000/396100 | types | ef:agent/link_flows_to_their_substance | ef:flow/244b43f0-d105-4cea-aca0-2f448ca77c40/v18 | ef:flow/244b43f0-d105-4cea-aca0-2f448ca77c40/v19 |