2-[(acetyloxy)methyl]-4-(2-amino-6-chloro-9h-purin-9-yl)butyl Acetate
Everything that changed this substance, across every flow that resolves to it. Back to the substance
fo-a96e58f55458a177
Changes
55| # | 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 |
| 30,210 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","indoor":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, indoor |
| 30,211 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-indr-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, indoor |
| 53,470 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Ground","geography":"Non-agricultural"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to non-agricultural soil |
| 53,471 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-grou-noag | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to non-agricultural soil |
| 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) |
| 72,208 | 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 |
| 72,209 | 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 |
| 79,622 | 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 |
| 79,623 | 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 |
| 85,870 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified |
| 85,871 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified |
| 111,544 | 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 |
| 111,545 | 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 |
| 113,776 | 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 |
| 113,777 | 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 |
| 119,900 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Ocean"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to sea water |
| 119,901 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-ocea | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to sea water |
| 147,820 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Aircraft cruise height"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to lower stratosphere and upper troposphere |
| 147,821 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-aicrhe | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to lower stratosphere and upper troposphere |
| 148,506 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Ground","geography":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to soil, unspecified |
| 148,507 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-grou-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to soil, unspecified |
| 180,982 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Long-term"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified (long-term) |
| 180,983 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-lote | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified (long-term) |
| 190,218 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Ground","geography":"Agricultural"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to agricultural soil |
| 190,219 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-grou-agri | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to agricultural soil |
| 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'} |
| 274,782 | 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' |
| 281,247 | 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 |
| 292,218 | 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 |
| 296,137 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/05d148a7-2178-… | associations resolved on the elementary layer |
| 307,755 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/19a2e750-afac-… | associations resolved on the elementary layer |
| 311,371 | 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 |
| 317,114 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/3515b1dc-b238-… | associations resolved on the elementary layer |
| 320,817 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/401c017d-9037-… | associations resolved on the elementary layer |
| 323,943 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/4b3d99d3-86ca-… | associations resolved on the elementary layer |
| 336,764 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/67cd1127-73a0-… | associations resolved on the elementary layer |
| 337,880 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/6b7204db-bea4-… | associations resolved on the elementary layer |
| 340,941 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/75cd996e-de54-… | associations resolved on the elementary layer |
| 354,925 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/a4a7694e-bc06-… | associations resolved on the elementary layer |