Diglycolic acid
Everything that changed this flow. Back to the flow
24d83fcf-bd15-4e46-a1b2-e258e894bd52
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 | 4 | chebi_altlabels, consensus_match, strip_catalogue_altlabels | Removed 1 catalogue altLabel value(s): 'NSC 8651' (registry code) |
| prefLabel | 3 | bootstrap_labels, consensus_match, normalize_name_case | cas=110-99-6; cc_chebi_agreed_name='Diglycolic acid'; object_uuid=fo-fccf670edbd8ffa0 |
| cas_match_labels | 1 | consensus_match | group_key=oxydi(aceticacid)||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'110-99-6': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-fccf670edbd8ffa0: {'110-99-6': '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 fresh water |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to fresh water |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['110-99-6']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_169983']; candidate_pubchem_cids=[8088, 123585, 20501273]; selected_pubchem_cids=[8088]; 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
22| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 18,994 | bootstrap_labels | prefLabel | — | [{"@value":"oxydi(acetic acid)","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributed… | Bootstrapped prefLabel from legacy name field |
| 18,995 | bootstrap_labels | name | oxydi(acetic acid) | — | Purged legacy name field to enforce prefLabel usage |
| 18,996 | bootstrap_labels | synonyms | ["2,2'-OXYDIACETIC ACID","2,2'-Oxybisacetic acid","2-(carboxymethyloxy)acetic acid","3-Oxapentanedioic acid","AC1L1Q8K"… | [] | Removed legacy synonyms field in favor of structured labels |
| 61,070 | 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 |
| 61,071 | 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 |
| 219,534 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 225,416 | normalize_name_case | prefLabel | [{"@value":"oxydi(acetic acid)","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributed… | [{"@value":"Oxydi(acetic Acid)","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributed… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 244,872 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H6O5"],"… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 244,873 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 244,874 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J9.721G","provenance":{"prov:wasGeneratedBy":"enrich_reference… | Added references with provenance; cas_numbers=['110-99-6']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_169983']; candidate_pubchem_cids=[8088, 123585, 20501273]; selected_pubchem_cids=[8088]; 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 |
| 253,414 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H6O5"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H6O5"],"… | rdkit_pre_consensus from 'C(C(=O)O)OCC(=O)O'; added: monoisotopic_mass |
| 256,858 | chebi_altlabels | altLabel | [] | [{"@value":"2-(carboxymethoxy)acetic acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:was… | Added 1 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 270,254 | consensus_match | prefLabel | [{"@value":"Oxydi(acetic Acid)","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributed… | [{"@value":"Diglycolic acid","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":… | cas=110-99-6; cc_chebi_agreed_name='Diglycolic acid'; object_uuid=fo-fccf670edbd8ffa0 |
| 270,255 | consensus_match | altLabel | [{"@value":"2-(carboxymethoxy)acetic acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:was… | [{"@value":"2-(carboxymethoxy)acetic acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:was… | cas=110-99-6; added original name as altLabel after CC/ChEBI rename; object_uuid=fo-fccf670edbd8ffa0 |
| 270,256 | consensus_match | altLabel | [{"@value":"2-(carboxymethoxy)acetic acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:was… | [{"@value":"2-(carboxymethoxy)acetic acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:was… | group_key=oxydi(aceticacid)||dimension=Environmental > media=Water > water_body=Surface water; cas=110-99-6; added Common Chemistry CAS names as altLabel: 2,2′-Oxybis[acetic acid], 2,2′-Oxydiacetic acid, 3-Oxapentane-1,5-dioic acid, 3-Oxapentanedioic acid, Acetic acid, 2,2′-oxybis-, Acetic acid, oxydi-, Bis(carboxymethyl) ether, NSC 8651, Oxodiacetic acid, Oxybisacetic acid, Oxydiacetic acid, Oxydiethanolic acid; object_uuid=fo-fccf670edbd8ffa0 |
| 270,257 | consensus_match | cas_match_labels | — | {"110-99-6":"exactMatch"} | group_key=oxydi(aceticacid)||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'110-99-6': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-fccf670edbd8ffa0: {'110-99-6': 'exactMatch'} |
| 278,626 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H6O5"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H6O5"],"… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Diglycolic acid' |
| 285,403 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H6O5"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H6O5"],"… | rdkit_post_consensus from 'O=C(O)COCC(=O)O'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 291,074 | strip_catalogue_altlabels | altLabel | [{"@value":"2-(carboxymethoxy)acetic acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:was… | [{"@value":"2-(carboxymethoxy)acetic acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:was… | Removed 1 catalogue altLabel value(s): 'NSC 8651' (registry code) |
| 311,554 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/24d83fcf-bd15-… | associations resolved on the elementary layer |
| 392,991 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H6O5"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H6O5"],"… | typed the way the ontology types it |
| 401,732 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
PROV-O trail
22 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/20260822T0600486828500000/18994 | prefLabel | ef:agent/bootstrap_labels | ef:flow/24d83fcf-bd15-4e46-a1b2-e258e894bd52/v0 | ef:flow/24d83fcf-bd15-4e46-a1b2-e258e894bd52/v1 |
| ef:activity/change/20260822T0600486828500000/18995 | name | ef:agent/bootstrap_labels | ef:flow/24d83fcf-bd15-4e46-a1b2-e258e894bd52/v1 | ef:flow/24d83fcf-bd15-4e46-a1b2-e258e894bd52/v2 |
| ef:activity/change/20260822T0600486828500000/18996 | synonyms | ef:agent/bootstrap_labels | ef:flow/24d83fcf-bd15-4e46-a1b2-e258e894bd52/v2 | ef:flow/24d83fcf-bd15-4e46-a1b2-e258e894bd52/v3 |
| ef:activity/change/20260822T0600486828500000/61070 | context | ef:agent/default_context_mapping | ef:flow/24d83fcf-bd15-4e46-a1b2-e258e894bd52/v3 | ef:flow/24d83fcf-bd15-4e46-a1b2-e258e894bd52/v4 |
| ef:activity/change/20260822T0600486828500000/61071 | context_iri | ef:agent/default_context_mapping | ef:flow/24d83fcf-bd15-4e46-a1b2-e258e894bd52/v4 | ef:flow/24d83fcf-bd15-4e46-a1b2-e258e894bd52/v5 |
| ef:activity/change/20260822T0600486828500000/219534 | unit_iri | ef:agent/unit_normalization | ef:flow/24d83fcf-bd15-4e46-a1b2-e258e894bd52/v5 | ef:flow/24d83fcf-bd15-4e46-a1b2-e258e894bd52/v6 |
| ef:activity/change/20260822T0600486828500000/225416 | prefLabel | ef:agent/normalize_name_case | ef:flow/24d83fcf-bd15-4e46-a1b2-e258e894bd52/v6 | ef:flow/24d83fcf-bd15-4e46-a1b2-e258e894bd52/v7 |
| ef:activity/change/20260822T0600486828500000/244872 | properties | ef:agent/enrich_references | ef:flow/24d83fcf-bd15-4e46-a1b2-e258e894bd52/v7 | ef:flow/24d83fcf-bd15-4e46-a1b2-e258e894bd52/v8 |
| ef:activity/change/20260822T0600486828500000/244873 | skos_definition | ef:agent/enrich_references | ef:flow/24d83fcf-bd15-4e46-a1b2-e258e894bd52/v8 | ef:flow/24d83fcf-bd15-4e46-a1b2-e258e894bd52/v9 |
| ef:activity/change/20260822T0600486828500000/244874 | references | ef:agent/enrich_references | ef:flow/24d83fcf-bd15-4e46-a1b2-e258e894bd52/v9 | ef:flow/24d83fcf-bd15-4e46-a1b2-e258e894bd52/v10 |
| ef:activity/change/20260822T0600486828500000/253414 | properties | ef:agent/rdkit_pre_consensus | ef:flow/24d83fcf-bd15-4e46-a1b2-e258e894bd52/v10 | ef:flow/24d83fcf-bd15-4e46-a1b2-e258e894bd52/v11 |
| ef:activity/change/20260822T0600486828500000/256858 | altLabel | ef:agent/chebi_altlabels | ef:flow/24d83fcf-bd15-4e46-a1b2-e258e894bd52/v11 | ef:flow/24d83fcf-bd15-4e46-a1b2-e258e894bd52/v12 |
| ef:activity/change/20260822T0600486828500000/270254 | prefLabel | ef:agent/consensus_match | ef:flow/24d83fcf-bd15-4e46-a1b2-e258e894bd52/v12 | ef:flow/24d83fcf-bd15-4e46-a1b2-e258e894bd52/v13 |
| ef:activity/change/20260822T0600486828500000/270255 | altLabel | ef:agent/consensus_match | ef:flow/24d83fcf-bd15-4e46-a1b2-e258e894bd52/v13 | ef:flow/24d83fcf-bd15-4e46-a1b2-e258e894bd52/v14 |
| ef:activity/change/20260822T0600486828500000/270256 | altLabel | ef:agent/consensus_match | ef:flow/24d83fcf-bd15-4e46-a1b2-e258e894bd52/v14 | ef:flow/24d83fcf-bd15-4e46-a1b2-e258e894bd52/v15 |
| ef:activity/change/20260822T0600486828500000/270257 | cas_match_labels | ef:agent/consensus_match | ef:flow/24d83fcf-bd15-4e46-a1b2-e258e894bd52/v15 | ef:flow/24d83fcf-bd15-4e46-a1b2-e258e894bd52/v16 |
| ef:activity/change/20260822T0600486828500000/278626 | properties | ef:agent/opsin_iupac | ef:flow/24d83fcf-bd15-4e46-a1b2-e258e894bd52/v16 | ef:flow/24d83fcf-bd15-4e46-a1b2-e258e894bd52/v17 |
| ef:activity/change/20260822T0600486828500000/285403 | properties | ef:agent/rdkit_post_consensus | ef:flow/24d83fcf-bd15-4e46-a1b2-e258e894bd52/v17 | ef:flow/24d83fcf-bd15-4e46-a1b2-e258e894bd52/v18 |
| ef:activity/change/20260822T0600486828500000/291074 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/24d83fcf-bd15-4e46-a1b2-e258e894bd52/v18 | ef:flow/24d83fcf-bd15-4e46-a1b2-e258e894bd52/v19 |
| ef:activity/change/20260822T0600486828500000/311554 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/24d83fcf-bd15-4e46-a1b2-e258e894bd52/v19 | ef:flow/24d83fcf-bd15-4e46-a1b2-e258e894bd52/v20 |
| ef:activity/change/20260822T0600486828500000/392991 | properties | ef:agent/normalise_property_values | ef:flow/24d83fcf-bd15-4e46-a1b2-e258e894bd52/v20 | ef:flow/24d83fcf-bd15-4e46-a1b2-e258e894bd52/v21 |
| ef:activity/change/20260822T0600486828500000/401732 | types | ef:agent/link_flows_to_their_substance | ef:flow/24d83fcf-bd15-4e46-a1b2-e258e894bd52/v21 | ef:flow/24d83fcf-bd15-4e46-a1b2-e258e894bd52/v22 |