2-hydroxyethanaminium Sulfanylacetate
Everything that changed this flow. Back to the flow
1412cdf7-40c0-4594-b480-16a37d6ba5e2
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 |
| 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-hydroxyethanaminiumsulfanylacetate||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['ec_inventory']; cas_sources={'126-97-6': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-dfa9585234d8cd98: {'126-97-6': '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 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 |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['126-97-6']; matched_chebi_ids=[]; candidate_pubchem_cids=[160430, 194984, 57347365, 57508504, 131698978]; selected_pubchem_cids=[160430, 57508504]; 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 |
|---|---|---|---|---|---|
| 524 | bootstrap_labels | prefLabel | — | [{"@value":"2-hydroxyethanaminium sulfanylacetate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels",… | Bootstrapped prefLabel from legacy name field |
| 525 | bootstrap_labels | name | 2-hydroxyethanaminium sulfanylacetate | — | Purged legacy name field to enforce prefLabel usage |
| 526 | bootstrap_labels | synonyms | ["organic","(2-hydroxyethyl)ammoniummercaptoacetate","meatg83"] | [] | Removed legacy synonyms field in favor of structured labels |
| 49,238 | 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 |
| 49,239 | 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 |
| 213,514 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 221,216 | normalize_name_case | prefLabel | [{"@value":"2-hydroxyethanaminium sulfanylacetate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels",… | [{"@value":"2-hydroxyethanaminium Sulfanylacetate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels",… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 227,672 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H11NO3S"… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=2) |
| 227,673 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 227,674 | enrich_references | references | [] | [{"@id":"https://chem.echa.europa.eu/100.004.379","provenance":{"prov:wasGeneratedBy":"enrich_references.pubchem_identi… | Added references with provenance; cas_numbers=['126-97-6']; matched_chebi_ids=[]; candidate_pubchem_cids=[160430, 194984, 57347365, 57508504, 131698978]; selected_pubchem_cids=[160430, 57508504]; 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 |
| 248,458 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H11NO3S"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H11NO3S"… | rdkit_pre_consensus from 'C(CO)N.C(C(=O)O)S'; added: molecular_mass, monoisotopic_mass |
| 260,959 | consensus_match | altLabel | [] | [{"@value":"<em>N</em>-(2-Hydroxyethyl)ammonium thioglycolate","@language":"en","source":{"prov:wasGeneratedBy":"consen… | group_key=2-hydroxyethanaminiumsulfanylacetate||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=126-97-6; added Common Chemistry CAS names as altLabel: <em>N</em>-(2-Hydroxyethyl)ammonium thioglycolate, Acetic acid, 2-mercapto-, compd. with 2-aminoethanol (1:1), Acetic acid, mercapto-, compd. with 2-aminoethanol, Acetic acid, mercapto-, compd. with 2-aminoethanol (1:1), Ethanol, 2-amino-, mercaptoacetate (salt), Ethanolamine thioglycolate, Monoethanolamine thioglycolate, Thioglycolic acid monoethanolamine salt; object_uuid=fo-dfa9585234d8cd98 |
| 260,960 | consensus_match | cas_match_labels | — | {"126-97-6":"exactMatch"} | group_key=2-hydroxyethanaminiumsulfanylacetate||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['ec_inventory']; cas_sources={'126-97-6': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-dfa9585234d8cd98: {'126-97-6': 'exactMatch'} |
| 273,599 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H11NO3S"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H11NO3S"… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '2-hydroxyethanaminium Sulfanylacetate' |
| 279,960 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H11NO3S"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H11NO3S"… | rdkit_post_consensus from 'O=C([O-])CS.[NH3+]CCO'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 291,996 | dedupe_altlabels | altLabel | [{"@value":"<em>N</em>-(2-Hydroxyethyl)ammonium thioglycolate","@language":"en","source":{"prov:wasGeneratedBy":"consen… | [{"@value":"N-(2-Hydroxyethyl)ammonium thioglycolate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match… | Deduplicated altLabel values and removed entries matching prefLabel |
| 305,666 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/1412cdf7-40c0-… | associations resolved on the elementary layer |
| 387,875 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H11NO3S"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H11NO3S"… | typed the way the ontology types it |
| 394,395 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/ChemicalSalt"] | 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/20260820T0738569779880000/524 | prefLabel | ef:agent/bootstrap_labels | ef:flow/1412cdf7-40c0-4594-b480-16a37d6ba5e2/v0 | ef:flow/1412cdf7-40c0-4594-b480-16a37d6ba5e2/v1 |
| ef:activity/change/20260820T0738569779880000/525 | name | ef:agent/bootstrap_labels | ef:flow/1412cdf7-40c0-4594-b480-16a37d6ba5e2/v1 | ef:flow/1412cdf7-40c0-4594-b480-16a37d6ba5e2/v2 |
| ef:activity/change/20260820T0738569779880000/526 | synonyms | ef:agent/bootstrap_labels | ef:flow/1412cdf7-40c0-4594-b480-16a37d6ba5e2/v2 | ef:flow/1412cdf7-40c0-4594-b480-16a37d6ba5e2/v3 |
| ef:activity/change/20260820T0738569779880000/49238 | context | ef:agent/default_context_mapping | ef:flow/1412cdf7-40c0-4594-b480-16a37d6ba5e2/v3 | ef:flow/1412cdf7-40c0-4594-b480-16a37d6ba5e2/v4 |
| ef:activity/change/20260820T0738569779880000/49239 | context_iri | ef:agent/default_context_mapping | ef:flow/1412cdf7-40c0-4594-b480-16a37d6ba5e2/v4 | ef:flow/1412cdf7-40c0-4594-b480-16a37d6ba5e2/v5 |
| ef:activity/change/20260820T0738569779880000/213514 | unit_iri | ef:agent/unit_normalization | ef:flow/1412cdf7-40c0-4594-b480-16a37d6ba5e2/v5 | ef:flow/1412cdf7-40c0-4594-b480-16a37d6ba5e2/v6 |
| ef:activity/change/20260820T0738569779880000/221216 | prefLabel | ef:agent/normalize_name_case | ef:flow/1412cdf7-40c0-4594-b480-16a37d6ba5e2/v6 | ef:flow/1412cdf7-40c0-4594-b480-16a37d6ba5e2/v7 |
| ef:activity/change/20260820T0738569779880000/227672 | properties | ef:agent/enrich_references | ef:flow/1412cdf7-40c0-4594-b480-16a37d6ba5e2/v7 | ef:flow/1412cdf7-40c0-4594-b480-16a37d6ba5e2/v8 |
| ef:activity/change/20260820T0738569779880000/227673 | skos_definition | ef:agent/enrich_references | ef:flow/1412cdf7-40c0-4594-b480-16a37d6ba5e2/v8 | ef:flow/1412cdf7-40c0-4594-b480-16a37d6ba5e2/v9 |
| ef:activity/change/20260820T0738569779880000/227674 | references | ef:agent/enrich_references | ef:flow/1412cdf7-40c0-4594-b480-16a37d6ba5e2/v9 | ef:flow/1412cdf7-40c0-4594-b480-16a37d6ba5e2/v10 |
| ef:activity/change/20260820T0738569779880000/248458 | properties | ef:agent/rdkit_pre_consensus | ef:flow/1412cdf7-40c0-4594-b480-16a37d6ba5e2/v10 | ef:flow/1412cdf7-40c0-4594-b480-16a37d6ba5e2/v11 |
| ef:activity/change/20260820T0738569779880000/260959 | altLabel | ef:agent/consensus_match | ef:flow/1412cdf7-40c0-4594-b480-16a37d6ba5e2/v11 | ef:flow/1412cdf7-40c0-4594-b480-16a37d6ba5e2/v12 |
| ef:activity/change/20260820T0738569779880000/260960 | cas_match_labels | ef:agent/consensus_match | ef:flow/1412cdf7-40c0-4594-b480-16a37d6ba5e2/v12 | ef:flow/1412cdf7-40c0-4594-b480-16a37d6ba5e2/v13 |
| ef:activity/change/20260820T0738569779880000/273599 | properties | ef:agent/opsin_iupac | ef:flow/1412cdf7-40c0-4594-b480-16a37d6ba5e2/v13 | ef:flow/1412cdf7-40c0-4594-b480-16a37d6ba5e2/v14 |
| ef:activity/change/20260820T0738569779880000/279960 | properties | ef:agent/rdkit_post_consensus | ef:flow/1412cdf7-40c0-4594-b480-16a37d6ba5e2/v14 | ef:flow/1412cdf7-40c0-4594-b480-16a37d6ba5e2/v15 |
| ef:activity/change/20260820T0738569779880000/291996 | altLabel | ef:agent/dedupe_altlabels | ef:flow/1412cdf7-40c0-4594-b480-16a37d6ba5e2/v15 | ef:flow/1412cdf7-40c0-4594-b480-16a37d6ba5e2/v16 |
| ef:activity/change/20260820T0738569779880000/305666 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/1412cdf7-40c0-4594-b480-16a37d6ba5e2/v16 | ef:flow/1412cdf7-40c0-4594-b480-16a37d6ba5e2/v17 |
| ef:activity/change/20260820T0738569779880000/387875 | properties | ef:agent/normalise_property_values | ef:flow/1412cdf7-40c0-4594-b480-16a37d6ba5e2/v17 | ef:flow/1412cdf7-40c0-4594-b480-16a37d6ba5e2/v18 |
| ef:activity/change/20260820T0738569779880000/394395 | types | ef:agent/link_flows_to_their_substance | ef:flow/1412cdf7-40c0-4594-b480-16a37d6ba5e2/v18 | ef:flow/1412cdf7-40c0-4594-b480-16a37d6ba5e2/v19 |