2,2-dimethylsuccinic Acid
Everything that changed this flow. Back to the flow
2f786120-748c-4c19-824a-50b1aad5fd87
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 | 3 | chebi_altlabels, consensus_match, strip_catalogue_altlabels | Removed 1 catalogue altLabel value(s): 'NSC 408419' (registry code) |
| 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=2,2-dimethylsuccinicacid||dimension=Environmental > media=Ground > geography=Non-agricultural; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'597-43-3': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-5cb5991076c68227: {'597-43-3': '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 |
| 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 |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['597-43-3']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_86537']; candidate_pubchem_cids=[11701, 107812]; selected_pubchem_cids=[11701]; 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
20| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 14,212 | bootstrap_labels | prefLabel | — | [{"@value":"2,2-dimethylsuccinic acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAtt… | Bootstrapped prefLabel from legacy name field |
| 14,213 | bootstrap_labels | name | 2,2-dimethylsuccinic acid | — | Purged legacy name field to enforce prefLabel usage |
| 14,214 | bootstrap_labels | synonyms | [".alpha.,.alpha.-Dimethyl-succinic acid","2,2-Dimethyl-1,4-butanedioic Acid","2,2-Dimethylbutanedioic acid","2,2-Dimet… | [] | Removed legacy synonyms field in favor of structured labels |
| 68,200 | 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 |
| 68,201 | 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 |
| 218,033 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 224,381 | normalize_name_case | prefLabel | [{"@value":"2,2-dimethylsuccinic acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAtt… | [{"@value":"2,2-dimethylsuccinic Acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAtt… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 240,638 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H10O4"],… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 240,639 | enrich_references | skos_definition | — | [{"@value":"An α,ω-dicarboxylic acid that is succinic acid substituted by two methyl groups at positions 2 and 2 respec… | Merged ChEBI/PubChem definitions into skos:definition |
| 240,640 | enrich_references | references | [] | [{"@id":"foodb.food:FDB022833","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedT… | Added references with provenance; cas_numbers=['597-43-3']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_86537']; candidate_pubchem_cids=[11701, 107812]; selected_pubchem_cids=[11701]; 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 |
| 252,190 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H10O4"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H10O4"],… | rdkit_pre_consensus from 'CC(C)(CC(=O)O)C(=O)O'; added: monoisotopic_mass |
| 256,293 | chebi_altlabels | altLabel | [] | [{"@value":"2,2-dimethylbutanedioic acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasA… | Added 3 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 259,678 | consensus_match | altLabel | [{"@value":"2,2-dimethylbutanedioic acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasA… | [{"@value":"2,2-dimethylbutanedioic acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasA… | group_key=2,2-dimethylsuccinicacid||dimension=Environmental > media=Ground > geography=Non-agricultural; cas=597-43-3; added Common Chemistry CAS names as altLabel: 2,2-Dimethylsuccinaldehyde, Butanedioic acid, 2,2-dimethyl-, NSC 408419, Succinic acid, 2,2-dimethyl-, Succinic acid, α,α-dimethyl-; object_uuid=fo-5cb5991076c68227 |
| 259,679 | consensus_match | cas_match_labels | — | {"597-43-3":"exactMatch"} | group_key=2,2-dimethylsuccinicacid||dimension=Environmental > media=Ground > geography=Non-agricultural; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'597-43-3': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-5cb5991076c68227: {'597-43-3': 'exactMatch'} |
| 277,382 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H10O4"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H10O4"],… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '2,2-dimethylsuccinic Acid' |
| 284,060 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H10O4"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H10O4"],… | rdkit_post_consensus from 'CC(C)(CC(=O)O)C(=O)O'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 290,160 | strip_catalogue_altlabels | altLabel | [{"@value":"2,2-dimethylbutanedioic acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasA… | [{"@value":"2,2-dimethylbutanedioic acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasA… | Removed 1 catalogue altLabel value(s): 'NSC 408419' (registry code) |
| 315,110 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/2f786120-748c-… | associations resolved on the elementary layer |
| 391,731 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H10O4"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H10O4"],… | typed the way the ontology types it |
| 399,902 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
PROV-O trail
20 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/20260821T0609040591070000/14212 | prefLabel | ef:agent/bootstrap_labels | ef:flow/2f786120-748c-4c19-824a-50b1aad5fd87/v0 | ef:flow/2f786120-748c-4c19-824a-50b1aad5fd87/v1 |
| ef:activity/change/20260821T0609040591070000/14213 | name | ef:agent/bootstrap_labels | ef:flow/2f786120-748c-4c19-824a-50b1aad5fd87/v1 | ef:flow/2f786120-748c-4c19-824a-50b1aad5fd87/v2 |
| ef:activity/change/20260821T0609040591070000/14214 | synonyms | ef:agent/bootstrap_labels | ef:flow/2f786120-748c-4c19-824a-50b1aad5fd87/v2 | ef:flow/2f786120-748c-4c19-824a-50b1aad5fd87/v3 |
| ef:activity/change/20260821T0609040591070000/68200 | context | ef:agent/default_context_mapping | ef:flow/2f786120-748c-4c19-824a-50b1aad5fd87/v3 | ef:flow/2f786120-748c-4c19-824a-50b1aad5fd87/v4 |
| ef:activity/change/20260821T0609040591070000/68201 | context_iri | ef:agent/default_context_mapping | ef:flow/2f786120-748c-4c19-824a-50b1aad5fd87/v4 | ef:flow/2f786120-748c-4c19-824a-50b1aad5fd87/v5 |
| ef:activity/change/20260821T0609040591070000/218033 | unit_iri | ef:agent/unit_normalization | ef:flow/2f786120-748c-4c19-824a-50b1aad5fd87/v5 | ef:flow/2f786120-748c-4c19-824a-50b1aad5fd87/v6 |
| ef:activity/change/20260821T0609040591070000/224381 | prefLabel | ef:agent/normalize_name_case | ef:flow/2f786120-748c-4c19-824a-50b1aad5fd87/v6 | ef:flow/2f786120-748c-4c19-824a-50b1aad5fd87/v7 |
| ef:activity/change/20260821T0609040591070000/240638 | properties | ef:agent/enrich_references | ef:flow/2f786120-748c-4c19-824a-50b1aad5fd87/v7 | ef:flow/2f786120-748c-4c19-824a-50b1aad5fd87/v8 |
| ef:activity/change/20260821T0609040591070000/240639 | skos_definition | ef:agent/enrich_references | ef:flow/2f786120-748c-4c19-824a-50b1aad5fd87/v8 | ef:flow/2f786120-748c-4c19-824a-50b1aad5fd87/v9 |
| ef:activity/change/20260821T0609040591070000/240640 | references | ef:agent/enrich_references | ef:flow/2f786120-748c-4c19-824a-50b1aad5fd87/v9 | ef:flow/2f786120-748c-4c19-824a-50b1aad5fd87/v10 |
| ef:activity/change/20260821T0609040591070000/252190 | properties | ef:agent/rdkit_pre_consensus | ef:flow/2f786120-748c-4c19-824a-50b1aad5fd87/v10 | ef:flow/2f786120-748c-4c19-824a-50b1aad5fd87/v11 |
| ef:activity/change/20260821T0609040591070000/256293 | altLabel | ef:agent/chebi_altlabels | ef:flow/2f786120-748c-4c19-824a-50b1aad5fd87/v11 | ef:flow/2f786120-748c-4c19-824a-50b1aad5fd87/v12 |
| ef:activity/change/20260821T0609040591070000/259678 | altLabel | ef:agent/consensus_match | ef:flow/2f786120-748c-4c19-824a-50b1aad5fd87/v12 | ef:flow/2f786120-748c-4c19-824a-50b1aad5fd87/v13 |
| ef:activity/change/20260821T0609040591070000/259679 | cas_match_labels | ef:agent/consensus_match | ef:flow/2f786120-748c-4c19-824a-50b1aad5fd87/v13 | ef:flow/2f786120-748c-4c19-824a-50b1aad5fd87/v14 |
| ef:activity/change/20260821T0609040591070000/277382 | properties | ef:agent/opsin_iupac | ef:flow/2f786120-748c-4c19-824a-50b1aad5fd87/v14 | ef:flow/2f786120-748c-4c19-824a-50b1aad5fd87/v15 |
| ef:activity/change/20260821T0609040591070000/284060 | properties | ef:agent/rdkit_post_consensus | ef:flow/2f786120-748c-4c19-824a-50b1aad5fd87/v15 | ef:flow/2f786120-748c-4c19-824a-50b1aad5fd87/v16 |
| ef:activity/change/20260821T0609040591070000/290160 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/2f786120-748c-4c19-824a-50b1aad5fd87/v16 | ef:flow/2f786120-748c-4c19-824a-50b1aad5fd87/v17 |
| ef:activity/change/20260821T0609040591070000/315110 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/2f786120-748c-4c19-824a-50b1aad5fd87/v17 | ef:flow/2f786120-748c-4c19-824a-50b1aad5fd87/v18 |
| ef:activity/change/20260821T0609040591070000/391731 | properties | ef:agent/normalise_property_values | ef:flow/2f786120-748c-4c19-824a-50b1aad5fd87/v18 | ef:flow/2f786120-748c-4c19-824a-50b1aad5fd87/v19 |
| ef:activity/change/20260821T0609040591070000/399902 | types | ef:agent/link_flows_to_their_substance | ef:flow/2f786120-748c-4c19-824a-50b1aad5fd87/v19 | ef:flow/2f786120-748c-4c19-824a-50b1aad5fd87/v20 |