Dimethyl Sulfoxide
Everything that changed this flow. Back to the flow
2429f968-572d-450c-9573-770e6e6026fa
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 4 catalogue altLabel value(s): 'DMS 70' (grade code), 'DMS 90' (grade code), 'NSC 763' (registry code), 'SQ 9453' (grade 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=dimethylsulfoxide||dimension=Environmental > media=Water > water_body=Long-term; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'67-68-5': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-f70b2c316fffae9c: {'67-68-5': '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=['67-68-5']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_28262']; candidate_pubchem_cids=[679]; selected_pubchem_cids=[679]; 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 |
|---|---|---|---|---|---|
| 12,448 | bootstrap_labels | prefLabel | — | [{"@value":"dimethyl sulfoxide","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributed… | Bootstrapped prefLabel from legacy name field |
| 12,449 | bootstrap_labels | name | dimethyl sulfoxide | — | Purged legacy name field to enforce prefLabel usage |
| 12,450 | bootstrap_labels | synonyms | ["(CH3)2SO","(DMSO)","(methanesulfinyl)methane","300067X","A 10846","AB1004058","AC1L19RZ","AC1Q4GSG","AKOS000121107","… | [] | Removed legacy synonyms field in favor of structured labels |
| 60,634 | 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 |
| 60,635 | 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 |
| 217,458 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 223,976 | normalize_name_case | prefLabel | [{"@value":"dimethyl sulfoxide","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributed… | [{"@value":"Dimethyl Sulfoxide","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributed… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 239,005 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2H6OS"],"… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 239,006 | enrich_references | skos_definition | — | [{"@value":"A 2-carbon sulfoxide in which the sulfur atom has two methyl substituents.","@language":"en","provenance":{… | Merged ChEBI/PubChem definitions into skos:definition |
| 239,007 | enrich_references | references | [] | [{"@id":"drugcentral:906","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedTo":"c… | Added references with provenance; cas_numbers=['67-68-5']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_28262']; candidate_pubchem_cids=[679]; selected_pubchem_cids=[679]; 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 |
| 251,716 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2H6OS"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2H6OS"],"… | rdkit_pre_consensus from 'CS(=O)C'; added: monoisotopic_mass |
| 256,091 | chebi_altlabels | altLabel | [] | [{"@value":"(CH3)2SO","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consen… | Added 13 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 266,126 | consensus_match | altLabel | [{"@value":"(CH3)2SO","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consen… | [{"@value":"(CH3)2SO","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consen… | group_key=dimethylsulfoxide||dimension=Environmental > media=Water > water_body=Long-term; cas=67-68-5; added Common Chemistry CAS names as altLabel: 1,1′-Sulfinylbis[methane], 24: PN: CN117099771 SEQID: 24 sequence, 24: PN: WO2025020277 SEQID: 24 sequence, DMS 70, DMS 90, DMSO Evol, Demasorb, Demavet, Demeso, Demsodrox, Dimethylsulfoxide, Dimexide, Dimexidum, Dipirartril-tropico, Dolicur, Domoso, Dromisol, Durasorb, Gamasol 90, Herpid, Hyadur, Infiltrina, Kemsol, MeSH ID: D004121, Methane, 1,1′-sulfinylbis-, Methane, sulfinylbis-, Methyl sulfoxide, NSC 763, Rimso 50, SQ 9453, Sclerosol, Somipront, Sulfinylbismethane, Syntexan; object_uuid=fo-f70b2c316fffae9c |
| 266,127 | consensus_match | cas_match_labels | — | {"67-68-5":"exactMatch"} | group_key=dimethylsulfoxide||dimension=Environmental > media=Water > water_body=Long-term; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'67-68-5': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-f70b2c316fffae9c: {'67-68-5': 'exactMatch'} |
| 276,902 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2H6OS"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2H6OS"],"… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Dimethyl Sulfoxide' |
| 283,549 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2H6OS"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2H6OS"],"… | rdkit_post_consensus from 'CS(C)=O'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 289,821 | strip_catalogue_altlabels | altLabel | [{"@value":"(CH3)2SO","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consen… | [{"@value":"(CH3)2SO","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consen… | Removed 4 catalogue altLabel value(s): 'DMS 70' (grade code), 'DMS 90' (grade code), 'NSC 763' (registry code), 'SQ 9453' (grade code) |
| 311,336 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/2429f968-572d-… | associations resolved on the elementary layer |
| 391,259 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2H6OS"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2H6OS"],"… | typed the way the ontology types it |
| 399,211 | 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/20260822T0600486828500000/12448 | prefLabel | ef:agent/bootstrap_labels | ef:flow/2429f968-572d-450c-9573-770e6e6026fa/v0 | ef:flow/2429f968-572d-450c-9573-770e6e6026fa/v1 |
| ef:activity/change/20260822T0600486828500000/12449 | name | ef:agent/bootstrap_labels | ef:flow/2429f968-572d-450c-9573-770e6e6026fa/v1 | ef:flow/2429f968-572d-450c-9573-770e6e6026fa/v2 |
| ef:activity/change/20260822T0600486828500000/12450 | synonyms | ef:agent/bootstrap_labels | ef:flow/2429f968-572d-450c-9573-770e6e6026fa/v2 | ef:flow/2429f968-572d-450c-9573-770e6e6026fa/v3 |
| ef:activity/change/20260822T0600486828500000/60634 | context | ef:agent/default_context_mapping | ef:flow/2429f968-572d-450c-9573-770e6e6026fa/v3 | ef:flow/2429f968-572d-450c-9573-770e6e6026fa/v4 |
| ef:activity/change/20260822T0600486828500000/60635 | context_iri | ef:agent/default_context_mapping | ef:flow/2429f968-572d-450c-9573-770e6e6026fa/v4 | ef:flow/2429f968-572d-450c-9573-770e6e6026fa/v5 |
| ef:activity/change/20260822T0600486828500000/217458 | unit_iri | ef:agent/unit_normalization | ef:flow/2429f968-572d-450c-9573-770e6e6026fa/v5 | ef:flow/2429f968-572d-450c-9573-770e6e6026fa/v6 |
| ef:activity/change/20260822T0600486828500000/223976 | prefLabel | ef:agent/normalize_name_case | ef:flow/2429f968-572d-450c-9573-770e6e6026fa/v6 | ef:flow/2429f968-572d-450c-9573-770e6e6026fa/v7 |
| ef:activity/change/20260822T0600486828500000/239005 | properties | ef:agent/enrich_references | ef:flow/2429f968-572d-450c-9573-770e6e6026fa/v7 | ef:flow/2429f968-572d-450c-9573-770e6e6026fa/v8 |
| ef:activity/change/20260822T0600486828500000/239006 | skos_definition | ef:agent/enrich_references | ef:flow/2429f968-572d-450c-9573-770e6e6026fa/v8 | ef:flow/2429f968-572d-450c-9573-770e6e6026fa/v9 |
| ef:activity/change/20260822T0600486828500000/239007 | references | ef:agent/enrich_references | ef:flow/2429f968-572d-450c-9573-770e6e6026fa/v9 | ef:flow/2429f968-572d-450c-9573-770e6e6026fa/v10 |
| ef:activity/change/20260822T0600486828500000/251716 | properties | ef:agent/rdkit_pre_consensus | ef:flow/2429f968-572d-450c-9573-770e6e6026fa/v10 | ef:flow/2429f968-572d-450c-9573-770e6e6026fa/v11 |
| ef:activity/change/20260822T0600486828500000/256091 | altLabel | ef:agent/chebi_altlabels | ef:flow/2429f968-572d-450c-9573-770e6e6026fa/v11 | ef:flow/2429f968-572d-450c-9573-770e6e6026fa/v12 |
| ef:activity/change/20260822T0600486828500000/266126 | altLabel | ef:agent/consensus_match | ef:flow/2429f968-572d-450c-9573-770e6e6026fa/v12 | ef:flow/2429f968-572d-450c-9573-770e6e6026fa/v13 |
| ef:activity/change/20260822T0600486828500000/266127 | cas_match_labels | ef:agent/consensus_match | ef:flow/2429f968-572d-450c-9573-770e6e6026fa/v13 | ef:flow/2429f968-572d-450c-9573-770e6e6026fa/v14 |
| ef:activity/change/20260822T0600486828500000/276902 | properties | ef:agent/opsin_iupac | ef:flow/2429f968-572d-450c-9573-770e6e6026fa/v14 | ef:flow/2429f968-572d-450c-9573-770e6e6026fa/v15 |
| ef:activity/change/20260822T0600486828500000/283549 | properties | ef:agent/rdkit_post_consensus | ef:flow/2429f968-572d-450c-9573-770e6e6026fa/v15 | ef:flow/2429f968-572d-450c-9573-770e6e6026fa/v16 |
| ef:activity/change/20260822T0600486828500000/289821 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/2429f968-572d-450c-9573-770e6e6026fa/v16 | ef:flow/2429f968-572d-450c-9573-770e6e6026fa/v17 |
| ef:activity/change/20260822T0600486828500000/311336 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/2429f968-572d-450c-9573-770e6e6026fa/v17 | ef:flow/2429f968-572d-450c-9573-770e6e6026fa/v18 |
| ef:activity/change/20260822T0600486828500000/391259 | properties | ef:agent/normalise_property_values | ef:flow/2429f968-572d-450c-9573-770e6e6026fa/v18 | ef:flow/2429f968-572d-450c-9573-770e6e6026fa/v19 |
| ef:activity/change/20260822T0600486828500000/399211 | types | ef:agent/link_flows_to_their_substance | ef:flow/2429f968-572d-450c-9573-770e6e6026fa/v19 | ef:flow/2429f968-572d-450c-9573-770e6e6026fa/v20 |