2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonic Acid
Everything that changed this flow. Back to the flow
5c495128-b6fd-4109-86e6-59d2b78c1bd6
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 3 catalogue altLabel value(s): 'NSC 166663' (registry code), 'TVZ 7' (grade code), 'WAS 13' (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=2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonicacid||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'7365-45-9': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-3daf713094106023: {'7365-45-9': '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 |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['7365-45-9']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_42334']; candidate_pubchem_cids=[23830, 23831, 2724248, 3275884]; selected_pubchem_cids=[23831]; 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 |
|---|---|---|---|---|---|
| 11,748 | bootstrap_labels | prefLabel | — | [{"@value":"2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonic acid","@language":"en","source":{"prov:wasGeneratedBy":"… | Bootstrapped prefLabel from legacy name field |
| 11,749 | bootstrap_labels | name | 2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonic acid | — | Purged legacy name field to enforce prefLabel usage |
| 11,750 | bootstrap_labels | synonyms | ["organic","4-(2-hydroxyethyl)piperazin-1-ylethanesulphonicacid"] | [] | Removed legacy synonyms field in favor of structured labels |
| 104,580 | 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 |
| 104,581 | 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 |
| 217,235 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 223,816 | normalize_name_case | prefLabel | [{"@value":"2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonic acid","@language":"en","source":{"prov:wasGeneratedBy":"… | [{"@value":"2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonic Acid","@language":"en","source":{"prov:wasGeneratedBy":"… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 238,365 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H18N2O4S… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 238,366 | enrich_references | skos_definition | — | [{"@value":"A HEPES that is ethanesulfonic acid in which one of the methyl hydrogens is replaced by a 4-(2-hydroxyethyl… | Merged ChEBI/PubChem definitions into skos:definition |
| 238,367 | enrich_references | references | [] | [{"@id":"beilstein:883043","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedTo":"… | Added references with provenance; cas_numbers=['7365-45-9']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_42334']; candidate_pubchem_cids=[23830, 23831, 2724248, 3275884]; selected_pubchem_cids=[23831]; 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 |
| 251,531 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H18N2O4S… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H18N2O4S… | rdkit_pre_consensus from 'C1CN(CCN1CCO)CCS(=O)(=O)O'; added: monoisotopic_mass |
| 256,010 | chebi_altlabels | altLabel | [] | [{"@value":"4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID","@language":"en","source":{"prov:wasGeneratedBy":"cheb… | Added 3 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 260,458 | consensus_match | altLabel | [{"@value":"4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID","@language":"en","source":{"prov:wasGeneratedBy":"cheb… | [{"@value":"4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID","@language":"en","source":{"prov:wasGeneratedBy":"cheb… | group_key=2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonicacid||dimension=Environmental > media=Water > water_body=Unknown; cas=7365-45-9; added Common Chemistry CAS names as altLabel: 1-Piperazineethanesulfonic acid, 4-(2-hydroxyethyl)-, 1-[4-(2-Hydroxyethyl)-1-piperazinyl]ethane-2-sulfonic acid, 2-[4-(2-Hydroxyethyl)piperazin-1-yl]ethane-1-sulfonic acid, 2-[4-(2-Hydroxyethyl)piperazinyl]ethanesulfonic acid, 4-(2-Hydroxyethyl)-1-piperazineethanesulfonic acid, 4-(2-Hydroxyethyl)piperazine-1-(2-ethanesulfonic acid), <em>N</em>-(2-Hydroxyethyl)piperazine-<em>N</em>′-2-ethanesulfonic acid, <em>N</em>-(2-Hydroxyethyl)piperazine-<em>N</em>′-2′-ethanesulfonic acid, <em>N</em>-(2-Hydroxyethyl)piperazine-<em>N</em>′-ethanesulfonic acid, <em>N</em>-2-Hydroxyethyl piperazine <em>N</em>-2-ethane sulphonic acid, <em>N</em>-2-Hydroxyethylpiperazino-<em>N</em>′-2-ethanesulfonic acid, <em>N</em>′-2-Hydroxyethylpiperazine-<em>N</em>-2-ethanesulfonic acid, NSC 166663, N′-(2-Hydroxyethyl)piperazine-N-(2-ethanesulfonic acid), TVZ 7, WAS 13; object_uuid=fo-3daf713094106023 |
| 260,459 | consensus_match | cas_match_labels | — | {"7365-45-9":"exactMatch"} | group_key=2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonicacid||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'7365-45-9': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-3daf713094106023: {'7365-45-9': 'exactMatch'} |
| 276,715 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H18N2O4S… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H18N2O4S… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonic Acid' |
| 283,345 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H18N2O4S… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H18N2O4S… | rdkit_post_consensus from 'O=S(=O)(O)CCN1CCN(CCO)CC1'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 289,678 | strip_catalogue_altlabels | altLabel | [{"@value":"4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID","@language":"en","source":{"prov:wasGeneratedBy":"cheb… | [{"@value":"4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID","@language":"en","source":{"prov:wasGeneratedBy":"cheb… | Removed 3 catalogue altLabel value(s): 'NSC 166663' (registry code), 'TVZ 7' (grade code), 'WAS 13' (grade code) |
| 333,287 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/5c495128-b6fd-… | associations resolved on the elementary layer |
| 391,071 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H18N2O4S… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H18N2O4S… | typed the way the ontology types it |
| 398,946 | 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/20260821T1554374006150000/11748 | prefLabel | ef:agent/bootstrap_labels | ef:flow/5c495128-b6fd-4109-86e6-59d2b78c1bd6/v0 | ef:flow/5c495128-b6fd-4109-86e6-59d2b78c1bd6/v1 |
| ef:activity/change/20260821T1554374006150000/11749 | name | ef:agent/bootstrap_labels | ef:flow/5c495128-b6fd-4109-86e6-59d2b78c1bd6/v1 | ef:flow/5c495128-b6fd-4109-86e6-59d2b78c1bd6/v2 |
| ef:activity/change/20260821T1554374006150000/11750 | synonyms | ef:agent/bootstrap_labels | ef:flow/5c495128-b6fd-4109-86e6-59d2b78c1bd6/v2 | ef:flow/5c495128-b6fd-4109-86e6-59d2b78c1bd6/v3 |
| ef:activity/change/20260821T1554374006150000/104580 | context | ef:agent/default_context_mapping | ef:flow/5c495128-b6fd-4109-86e6-59d2b78c1bd6/v3 | ef:flow/5c495128-b6fd-4109-86e6-59d2b78c1bd6/v4 |
| ef:activity/change/20260821T1554374006150000/104581 | context_iri | ef:agent/default_context_mapping | ef:flow/5c495128-b6fd-4109-86e6-59d2b78c1bd6/v4 | ef:flow/5c495128-b6fd-4109-86e6-59d2b78c1bd6/v5 |
| ef:activity/change/20260821T1554374006150000/217235 | unit_iri | ef:agent/unit_normalization | ef:flow/5c495128-b6fd-4109-86e6-59d2b78c1bd6/v5 | ef:flow/5c495128-b6fd-4109-86e6-59d2b78c1bd6/v6 |
| ef:activity/change/20260821T1554374006150000/223816 | prefLabel | ef:agent/normalize_name_case | ef:flow/5c495128-b6fd-4109-86e6-59d2b78c1bd6/v6 | ef:flow/5c495128-b6fd-4109-86e6-59d2b78c1bd6/v7 |
| ef:activity/change/20260821T1554374006150000/238365 | properties | ef:agent/enrich_references | ef:flow/5c495128-b6fd-4109-86e6-59d2b78c1bd6/v7 | ef:flow/5c495128-b6fd-4109-86e6-59d2b78c1bd6/v8 |
| ef:activity/change/20260821T1554374006150000/238366 | skos_definition | ef:agent/enrich_references | ef:flow/5c495128-b6fd-4109-86e6-59d2b78c1bd6/v8 | ef:flow/5c495128-b6fd-4109-86e6-59d2b78c1bd6/v9 |
| ef:activity/change/20260821T1554374006150000/238367 | references | ef:agent/enrich_references | ef:flow/5c495128-b6fd-4109-86e6-59d2b78c1bd6/v9 | ef:flow/5c495128-b6fd-4109-86e6-59d2b78c1bd6/v10 |
| ef:activity/change/20260821T1554374006150000/251531 | properties | ef:agent/rdkit_pre_consensus | ef:flow/5c495128-b6fd-4109-86e6-59d2b78c1bd6/v10 | ef:flow/5c495128-b6fd-4109-86e6-59d2b78c1bd6/v11 |
| ef:activity/change/20260821T1554374006150000/256010 | altLabel | ef:agent/chebi_altlabels | ef:flow/5c495128-b6fd-4109-86e6-59d2b78c1bd6/v11 | ef:flow/5c495128-b6fd-4109-86e6-59d2b78c1bd6/v12 |
| ef:activity/change/20260821T1554374006150000/260458 | altLabel | ef:agent/consensus_match | ef:flow/5c495128-b6fd-4109-86e6-59d2b78c1bd6/v12 | ef:flow/5c495128-b6fd-4109-86e6-59d2b78c1bd6/v13 |
| ef:activity/change/20260821T1554374006150000/260459 | cas_match_labels | ef:agent/consensus_match | ef:flow/5c495128-b6fd-4109-86e6-59d2b78c1bd6/v13 | ef:flow/5c495128-b6fd-4109-86e6-59d2b78c1bd6/v14 |
| ef:activity/change/20260821T1554374006150000/276715 | properties | ef:agent/opsin_iupac | ef:flow/5c495128-b6fd-4109-86e6-59d2b78c1bd6/v14 | ef:flow/5c495128-b6fd-4109-86e6-59d2b78c1bd6/v15 |
| ef:activity/change/20260821T1554374006150000/283345 | properties | ef:agent/rdkit_post_consensus | ef:flow/5c495128-b6fd-4109-86e6-59d2b78c1bd6/v15 | ef:flow/5c495128-b6fd-4109-86e6-59d2b78c1bd6/v16 |
| ef:activity/change/20260821T1554374006150000/289678 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/5c495128-b6fd-4109-86e6-59d2b78c1bd6/v16 | ef:flow/5c495128-b6fd-4109-86e6-59d2b78c1bd6/v17 |
| ef:activity/change/20260821T1554374006150000/333287 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/5c495128-b6fd-4109-86e6-59d2b78c1bd6/v17 | ef:flow/5c495128-b6fd-4109-86e6-59d2b78c1bd6/v18 |
| ef:activity/change/20260821T1554374006150000/391071 | properties | ef:agent/normalise_property_values | ef:flow/5c495128-b6fd-4109-86e6-59d2b78c1bd6/v18 | ef:flow/5c495128-b6fd-4109-86e6-59d2b78c1bd6/v19 |
| ef:activity/change/20260821T1554374006150000/398946 | types | ef:agent/link_flows_to_their_substance | ef:flow/5c495128-b6fd-4109-86e6-59d2b78c1bd6/v19 | ef:flow/5c495128-b6fd-4109-86e6-59d2b78c1bd6/v20 |