2-mercaptoethanol
Everything that changed this flow. Back to the flow
74100ae0-fea3-4c9b-ab00-87bbfc396b3d
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 3723' (registry code) |
| cas_match_labels | 1 | consensus_match | group_key=2-mercaptoethanol||dimension=Environmental > media=Water > water_body=Long-term; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'60-24-2': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-3f0b5a8a1cda0203: {'60-24-2': '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 soil > Emissions to non-agricultural soil |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to non-agricultural soil |
| 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=['60-24-2']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_41218']; candidate_pubchem_cids=[1567, 46738154]; selected_pubchem_cids=[1567]; 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
19| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 17,006 | bootstrap_labels | prefLabel | — | [{"@value":"2-mercaptoethanol","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedT… | Bootstrapped prefLabel from legacy name field |
| 17,007 | bootstrap_labels | name | 2-mercaptoethanol | — | Purged legacy name field to enforce prefLabel usage |
| 17,008 | bootstrap_labels | synonyms | [".beta.-Hydroxyethanethiol",".beta.-Hydroxyethylmercaptan",".beta.-Mercaptoethanol","1-Ethanol-2-thiol","1-Hydroxy-2-m… | [] | Removed legacy synonyms field in favor of structured labels |
| 118,914 | 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 |
| 118,915 | 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 |
| 218,916 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 243,151 | 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) |
| 243,152 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 243,153 | enrich_references | references | [] | [{"@id":"beilstein:773648","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedTo":"… | Added references with provenance; cas_numbers=['60-24-2']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_41218']; candidate_pubchem_cids=[1567, 46738154]; selected_pubchem_cids=[1567]; 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 |
| 252,915 | 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 'C(CS)O'; added: monoisotopic_mass |
| 256,626 | chebi_altlabels | altLabel | [] | [{"@value":"2-sulfanylethanol","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo… | Added 5 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 260,983 | consensus_match | altLabel | [{"@value":"2-sulfanylethanol","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo… | [{"@value":"2-sulfanylethanol","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo… | group_key=2-mercaptoethanol||dimension=Environmental > media=Water > water_body=Long-term; cas=60-24-2; added Common Chemistry CAS names as altLabel: 1-Hydroxy-2-mercaptoethane, 1-Mercapto-2-hydroxyethane, 2-Hydroxy-1-ethanethiol, 2-Hydroxyethanethiol, 2-Hydroxyethyl mercaptan, 2-ME, 2-Mercapto-1-ethanol, 2-Mercaptoethyl alcohol, 2-Sulfanylethan-1-ol, 2BME, BME, Beta-mercapto, Ethanol, 2-mercapto-, Ethylene glycol, monothio-, Hydroxyethyl mercaptan, MeSH ID: D008623, Monothioethylene glycol, Monothioglycol, NSC 3723, TCL-M 0058, Thioethylene glycol, Thiomonoglycol, β-Hydroxyethanethiol, β-Hydroxyethylmercaptan, β-Mercapto, β-Mercaptoethanol, β-met; object_uuid=fo-3f0b5a8a1cda0203 |
| 260,984 | consensus_match | cas_match_labels | — | {"60-24-2":"exactMatch"} | group_key=2-mercaptoethanol||dimension=Environmental > media=Water > water_body=Long-term; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'60-24-2': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-3f0b5a8a1cda0203: {'60-24-2': 'exactMatch'} |
| 278,119 | 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 '2-mercaptoethanol' |
| 284,855 | 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 'OCCS'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 290,706 | strip_catalogue_altlabels | altLabel | [{"@value":"2-sulfanylethanol","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo… | [{"@value":"2-sulfanylethanol","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo… | Removed 1 catalogue altLabel value(s): 'NSC 3723' (registry code) |
| 340,453 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/74100ae0-fea3-… | associations resolved on the elementary layer |
| 392,472 | 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 |
| 400,965 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
PROV-O trail
19 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/20260821T1122181958110000/17006 | prefLabel | ef:agent/bootstrap_labels | ef:flow/74100ae0-fea3-4c9b-ab00-87bbfc396b3d/v0 | ef:flow/74100ae0-fea3-4c9b-ab00-87bbfc396b3d/v1 |
| ef:activity/change/20260821T1122181958110000/17007 | name | ef:agent/bootstrap_labels | ef:flow/74100ae0-fea3-4c9b-ab00-87bbfc396b3d/v1 | ef:flow/74100ae0-fea3-4c9b-ab00-87bbfc396b3d/v2 |
| ef:activity/change/20260821T1122181958110000/17008 | synonyms | ef:agent/bootstrap_labels | ef:flow/74100ae0-fea3-4c9b-ab00-87bbfc396b3d/v2 | ef:flow/74100ae0-fea3-4c9b-ab00-87bbfc396b3d/v3 |
| ef:activity/change/20260821T1122181958110000/118914 | context | ef:agent/default_context_mapping | ef:flow/74100ae0-fea3-4c9b-ab00-87bbfc396b3d/v3 | ef:flow/74100ae0-fea3-4c9b-ab00-87bbfc396b3d/v4 |
| ef:activity/change/20260821T1122181958110000/118915 | context_iri | ef:agent/default_context_mapping | ef:flow/74100ae0-fea3-4c9b-ab00-87bbfc396b3d/v4 | ef:flow/74100ae0-fea3-4c9b-ab00-87bbfc396b3d/v5 |
| ef:activity/change/20260821T1122181958110000/218916 | unit_iri | ef:agent/unit_normalization | ef:flow/74100ae0-fea3-4c9b-ab00-87bbfc396b3d/v5 | ef:flow/74100ae0-fea3-4c9b-ab00-87bbfc396b3d/v6 |
| ef:activity/change/20260821T1122181958110000/243151 | properties | ef:agent/enrich_references | ef:flow/74100ae0-fea3-4c9b-ab00-87bbfc396b3d/v6 | ef:flow/74100ae0-fea3-4c9b-ab00-87bbfc396b3d/v7 |
| ef:activity/change/20260821T1122181958110000/243152 | skos_definition | ef:agent/enrich_references | ef:flow/74100ae0-fea3-4c9b-ab00-87bbfc396b3d/v7 | ef:flow/74100ae0-fea3-4c9b-ab00-87bbfc396b3d/v8 |
| ef:activity/change/20260821T1122181958110000/243153 | references | ef:agent/enrich_references | ef:flow/74100ae0-fea3-4c9b-ab00-87bbfc396b3d/v8 | ef:flow/74100ae0-fea3-4c9b-ab00-87bbfc396b3d/v9 |
| ef:activity/change/20260821T1122181958110000/252915 | properties | ef:agent/rdkit_pre_consensus | ef:flow/74100ae0-fea3-4c9b-ab00-87bbfc396b3d/v9 | ef:flow/74100ae0-fea3-4c9b-ab00-87bbfc396b3d/v10 |
| ef:activity/change/20260821T1122181958110000/256626 | altLabel | ef:agent/chebi_altlabels | ef:flow/74100ae0-fea3-4c9b-ab00-87bbfc396b3d/v10 | ef:flow/74100ae0-fea3-4c9b-ab00-87bbfc396b3d/v11 |
| ef:activity/change/20260821T1122181958110000/260983 | altLabel | ef:agent/consensus_match | ef:flow/74100ae0-fea3-4c9b-ab00-87bbfc396b3d/v11 | ef:flow/74100ae0-fea3-4c9b-ab00-87bbfc396b3d/v12 |
| ef:activity/change/20260821T1122181958110000/260984 | cas_match_labels | ef:agent/consensus_match | ef:flow/74100ae0-fea3-4c9b-ab00-87bbfc396b3d/v12 | ef:flow/74100ae0-fea3-4c9b-ab00-87bbfc396b3d/v13 |
| ef:activity/change/20260821T1122181958110000/278119 | properties | ef:agent/opsin_iupac | ef:flow/74100ae0-fea3-4c9b-ab00-87bbfc396b3d/v13 | ef:flow/74100ae0-fea3-4c9b-ab00-87bbfc396b3d/v14 |
| ef:activity/change/20260821T1122181958110000/284855 | properties | ef:agent/rdkit_post_consensus | ef:flow/74100ae0-fea3-4c9b-ab00-87bbfc396b3d/v14 | ef:flow/74100ae0-fea3-4c9b-ab00-87bbfc396b3d/v15 |
| ef:activity/change/20260821T1122181958110000/290706 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/74100ae0-fea3-4c9b-ab00-87bbfc396b3d/v15 | ef:flow/74100ae0-fea3-4c9b-ab00-87bbfc396b3d/v16 |
| ef:activity/change/20260821T1122181958110000/340453 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/74100ae0-fea3-4c9b-ab00-87bbfc396b3d/v16 | ef:flow/74100ae0-fea3-4c9b-ab00-87bbfc396b3d/v17 |
| ef:activity/change/20260821T1122181958110000/392472 | properties | ef:agent/normalise_property_values | ef:flow/74100ae0-fea3-4c9b-ab00-87bbfc396b3d/v17 | ef:flow/74100ae0-fea3-4c9b-ab00-87bbfc396b3d/v18 |
| ef:activity/change/20260821T1122181958110000/400965 | types | ef:agent/link_flows_to_their_substance | ef:flow/74100ae0-fea3-4c9b-ab00-87bbfc396b3d/v18 | ef:flow/74100ae0-fea3-4c9b-ab00-87bbfc396b3d/v19 |