1,3-dimethyl 2-[2-(2-amino-6-chloro-9h-purin-9-yl)ethyl]propanedioate
Everything that changed this flow. Back to the flow
0f64d05a-ea78-4370-8cea-2d6c118b126b
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 |
| cas_match_labels | 1 | consensus_match | 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'} |
| 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 sea water |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to sea 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=['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 |
| 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
18| # | 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 |
| 46,424 | 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 |
| 46,425 | 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 |
| 217,468 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 239,034 | 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) |
| 239,035 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 239,036 | 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 |
| 251,724 | 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 |
| 258,578 | 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 |
| 258,579 | 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'} |
| 276,909 | 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' |
| 283,553 | 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 |
| 292,626 | 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 |
| 304,232 | 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 |
| 391,260 | normalise_property_values | 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… | typed the way the ontology types it |
| 399,217 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
PROV-O trail
18 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/20260820T1812399309960000/12478 | prefLabel | ef:agent/bootstrap_labels | ef:flow/0f64d05a-ea78-4370-8cea-2d6c118b126b/v0 | ef:flow/0f64d05a-ea78-4370-8cea-2d6c118b126b/v1 |
| ef:activity/change/20260820T1812399309960000/12479 | name | ef:agent/bootstrap_labels | ef:flow/0f64d05a-ea78-4370-8cea-2d6c118b126b/v1 | ef:flow/0f64d05a-ea78-4370-8cea-2d6c118b126b/v2 |
| ef:activity/change/20260820T1812399309960000/12480 | synonyms | ef:agent/bootstrap_labels | ef:flow/0f64d05a-ea78-4370-8cea-2d6c118b126b/v2 | ef:flow/0f64d05a-ea78-4370-8cea-2d6c118b126b/v3 |
| ef:activity/change/20260820T1812399309960000/46424 | context | ef:agent/default_context_mapping | ef:flow/0f64d05a-ea78-4370-8cea-2d6c118b126b/v3 | ef:flow/0f64d05a-ea78-4370-8cea-2d6c118b126b/v4 |
| ef:activity/change/20260820T1812399309960000/46425 | context_iri | ef:agent/default_context_mapping | ef:flow/0f64d05a-ea78-4370-8cea-2d6c118b126b/v4 | ef:flow/0f64d05a-ea78-4370-8cea-2d6c118b126b/v5 |
| ef:activity/change/20260820T1812399309960000/217468 | unit_iri | ef:agent/unit_normalization | ef:flow/0f64d05a-ea78-4370-8cea-2d6c118b126b/v5 | ef:flow/0f64d05a-ea78-4370-8cea-2d6c118b126b/v6 |
| ef:activity/change/20260820T1812399309960000/239034 | properties | ef:agent/enrich_references | ef:flow/0f64d05a-ea78-4370-8cea-2d6c118b126b/v6 | ef:flow/0f64d05a-ea78-4370-8cea-2d6c118b126b/v7 |
| ef:activity/change/20260820T1812399309960000/239035 | skos_definition | ef:agent/enrich_references | ef:flow/0f64d05a-ea78-4370-8cea-2d6c118b126b/v7 | ef:flow/0f64d05a-ea78-4370-8cea-2d6c118b126b/v8 |
| ef:activity/change/20260820T1812399309960000/239036 | references | ef:agent/enrich_references | ef:flow/0f64d05a-ea78-4370-8cea-2d6c118b126b/v8 | ef:flow/0f64d05a-ea78-4370-8cea-2d6c118b126b/v9 |
| ef:activity/change/20260820T1812399309960000/251724 | properties | ef:agent/rdkit_pre_consensus | ef:flow/0f64d05a-ea78-4370-8cea-2d6c118b126b/v9 | ef:flow/0f64d05a-ea78-4370-8cea-2d6c118b126b/v10 |
| ef:activity/change/20260820T1812399309960000/258578 | altLabel | ef:agent/consensus_match | ef:flow/0f64d05a-ea78-4370-8cea-2d6c118b126b/v10 | ef:flow/0f64d05a-ea78-4370-8cea-2d6c118b126b/v11 |
| ef:activity/change/20260820T1812399309960000/258579 | cas_match_labels | ef:agent/consensus_match | ef:flow/0f64d05a-ea78-4370-8cea-2d6c118b126b/v11 | ef:flow/0f64d05a-ea78-4370-8cea-2d6c118b126b/v12 |
| ef:activity/change/20260820T1812399309960000/276909 | properties | ef:agent/opsin_iupac | ef:flow/0f64d05a-ea78-4370-8cea-2d6c118b126b/v12 | ef:flow/0f64d05a-ea78-4370-8cea-2d6c118b126b/v13 |
| ef:activity/change/20260820T1812399309960000/283553 | properties | ef:agent/rdkit_post_consensus | ef:flow/0f64d05a-ea78-4370-8cea-2d6c118b126b/v13 | ef:flow/0f64d05a-ea78-4370-8cea-2d6c118b126b/v14 |
| ef:activity/change/20260820T1812399309960000/292626 | altLabel | ef:agent/dedupe_altlabels | ef:flow/0f64d05a-ea78-4370-8cea-2d6c118b126b/v14 | ef:flow/0f64d05a-ea78-4370-8cea-2d6c118b126b/v15 |
| ef:activity/change/20260820T1812399309960000/304232 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/0f64d05a-ea78-4370-8cea-2d6c118b126b/v15 | ef:flow/0f64d05a-ea78-4370-8cea-2d6c118b126b/v16 |
| ef:activity/change/20260820T1812399309960000/391260 | properties | ef:agent/normalise_property_values | ef:flow/0f64d05a-ea78-4370-8cea-2d6c118b126b/v16 | ef:flow/0f64d05a-ea78-4370-8cea-2d6c118b126b/v17 |
| ef:activity/change/20260820T1812399309960000/399217 | types | ef:agent/link_flows_to_their_substance | ef:flow/0f64d05a-ea78-4370-8cea-2d6c118b126b/v17 | ef:flow/0f64d05a-ea78-4370-8cea-2d6c118b126b/v18 |