1,3-dimethyl 2-[2-(2-amino-6-chloro-9h-purin-9-yl)ethyl]propanedioate
Everything that changed this substance, across every flow that resolves to it. Back to the substance
fo-8609c8cd635b3f7b
Changes
54| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 12,478 | bootstrap_labels | prefLabel | — | [{"@value":"1,3-dimethyl 2-[2-(2-amino-6-chloro-9h-purin-9-yl)ethyl]propanedioate","@language":"en","source":{"prov:was… | Bootstrapped prefLabel from legacy name field |
| 12,479 | bootstrap_labels | name | 1,3-dimethyl 2-[2-(2-amino-6-chloro-9h-purin-9-yl)ethyl]propanedioate | — | Purged legacy name field to enforce prefLabel usage |
| 12,480 | bootstrap_labels | synonyms | ["propanedioicacid,2-[2-(2-amino-6-chloro-9h-purin-9-yl)ethyl]-,1,3-dimethylesterothernamesn-bromosuccinimide","1,3-dim… | [] | Removed legacy synonyms field in favor of structured labels |
| 46,427 | 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 |
| 46,428 | 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 |
| 68,975 | 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) |
| 68,976 | 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) |
| 71,549 | 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 |
| 71,550 | 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 |
| 79,805 | 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) |
| 79,806 | 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) |
| 97,805 | 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 |
| 97,806 | 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 |
| 99,865 | 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 |
| 99,866 | 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 |
| 117,349 | 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 |
| 117,350 | 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 |
| 121,809 | 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 |
| 121,810 | 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 |
| 134,999 | 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 |
| 135,000 | 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 |
| 135,293 | 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 |
| 135,294 | 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 |
| 146,391 | 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 |
| 146,392 | 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 |
| 147,939 | 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 |
| 147,940 | 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 |
| 181,401 | 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 |
| 181,402 | 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 |
| 217,471 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 239,038 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H14ClN5… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 239,039 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 239,040 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.167.742H","provenance":{"prov:wasGeneratedBy":"enrich_refer… | Added references with provenance; cas_numbers=['172529-93-0']; matched_chebi_ids=[]; candidate_pubchem_cids=[9949313, 92045618]; selected_pubchem_cids=[9949313]; 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 |
| 251,731 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H14ClN5… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H14ClN5… | rdkit_pre_consensus from 'COC(=O)C(CCN1C=NC2=C1N=C(N=C2Cl)N)C(=O)OC'; added: molecular_mass, monoisotopic_mass |
| 258,583 | consensus_match | altLabel | [] | [{"@value":"Dimethyl 2-[2-(2-amino-6-chloropurin-9-yl)ethyl]malonate","@language":"en","source":{"prov:wasGeneratedBy":… | group_key=1,3-dimethyl2-[2-(2-amino-6-chloro-9h-purin-9-yl)ethyl]propanedioate||dimension=Environmental > media=Water > water_body=Ocean; cas=172529-93-0; added Common Chemistry CAS names as altLabel: Dimethyl 2-[2-(2-amino-6-chloropurin-9-yl)ethyl]malonate, Propanedioic acid, 2-[2-(2-amino-6-chloro-9<em>H</em>-purin-9-yl)ethyl]-, 1,3-dimethyl ester, Propanedioic acid, [2-(2-amino-6-chloro-9<em>H</em>-purin-9-yl)ethyl]-, dimethyl ester; object_uuid=fo-8609c8cd635b3f7b |
| 258,584 | consensus_match | cas_match_labels | — | {"172529-93-0":"exactMatch"} | group_key=1,3-dimethyl2-[2-(2-amino-6-chloro-9h-purin-9-yl)ethyl]propanedioate||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['pubchem']; cas_sources={'172529-93-0': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-8609c8cd635b3f7b: {'172529-93-0': 'exactMatch'} |
| 276,917 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H14ClN5… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H14ClN5… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '1,3-dimethyl 2-[2-(2-amino-6-chloro-9h-purin-9-yl)ethyl]propanedioate' |
| 283,564 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H14ClN5… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H14ClN5… | rdkit_post_consensus from 'COC(=O)C(CCn1cnc2c(Cl)nc(N)nc21)C(=O)OC'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 292,645 | dedupe_altlabels | altLabel | [{"@value":"Dimethyl 2-[2-(2-amino-6-chloropurin-9-yl)ethyl]malonate","@language":"en","source":{"prov:wasGeneratedBy":… | [{"@value":"Dimethyl 2-[2-(2-amino-6-chloropurin-9-yl)ethyl]malonate","@language":"en","source":{"prov:wasGeneratedBy":… | Deduplicated altLabel values and removed entries matching prefLabel |
| 304,279 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/0f64d05a-ea78-… | associations resolved on the elementary layer |
| 315,543 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/30c56dd6-7aa6-… | associations resolved on the elementary layer |
| 316,830 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/33fcf0a7-39ab-… | associations resolved on the elementary layer |
| 320,953 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/406e5332-5f6b-… | associations resolved on the elementary layer |
| 329,936 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/5088eb69-368e-… | associations resolved on the elementary layer |
| 330,966 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/541c6058-022a-… | associations resolved on the elementary layer |
| 339,707 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/7183d042-dca4-… | associations resolved on the elementary layer |
| 341,937 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/7917290d-f15d-… | associations resolved on the elementary layer |
| 348,530 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/8f5a8c90-a571-… | associations resolved on the elementary layer |
| 348,677 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/8fdc015a-8fac-… | associations resolved on the elementary layer |
| 354,248 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/a23a7fdf-d9a2-… | associations resolved on the elementary layer |