2-({2-[(3-aminobenzoyl)amino]ethyl}sulfonyl)ethyl Hydrogen Sulfate
Everything that changed this flow. Back to the flow
247c376c-1d6b-4147-93b8-9062897a77a7
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-({2-[(3-aminobenzoyl)amino]ethyl}sulfonyl)ethylhydrogensulfate||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['pubchem']; cas_sources={'121315-20-6': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-005ded6336d4e1dc: {'121315-20-6': '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 air > Emissions to lower stratosphere and upper troposphere |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to lower stratosphere and upper troposphere |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['121315-20-6']; matched_chebi_ids=[]; candidate_pubchem_cids=[86365]; selected_pubchem_cids=[86365]; 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 |
|---|---|---|---|---|---|
| 2,148 | bootstrap_labels | prefLabel | — | [{"@value":"2-({2-[(3-aminobenzoyl)amino]ethyl}sulfonyl)ethyl hydrogen sulfate","@language":"en","source":{"prov:wasGen… | Bootstrapped prefLabel from legacy name field |
| 2,149 | bootstrap_labels | name | 2-({2-[(3-aminobenzoyl)amino]ethyl}sulfonyl)ethyl hydrogen sulfate | — | Purged legacy name field to enforce prefLabel usage |
| 2,150 | bootstrap_labels | synonyms | ["organic","benzamide,3-amino-n-[2-[[2-(sulfooxy)ethyl]sulfonyl]ethyl]-othernames2[(3-amino-benzamido)-n-ethylsulfonyl-… | [] | Removed legacy synonyms field in favor of structured labels |
| 60,840 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Aircraft cruise height"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to lower stratosphere and upper troposphere |
| 60,841 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-aicrhe | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to lower stratosphere and upper troposphere |
| 214,055 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 221,587 | normalize_name_case | prefLabel | [{"@value":"2-({2-[(3-aminobenzoyl)amino]ethyl}sulfonyl)ethyl hydrogen sulfate","@language":"en","source":{"prov:wasGen… | [{"@value":"2-({2-[(3-aminobenzoyl)amino]ethyl}sulfonyl)ethyl Hydrogen Sulfate","@language":"en","source":{"prov:wasGen… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 229,246 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C11H16N2O7… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 229,247 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 229,248 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.596.625D","provenance":{"prov:wasGeneratedBy":"enrich_refer… | Added references with provenance; cas_numbers=['121315-20-6']; matched_chebi_ids=[]; candidate_pubchem_cids=[86365]; selected_pubchem_cids=[86365]; 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 |
| 248,912 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C11H16N2O7… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C11H16N2O7… | rdkit_pre_consensus from 'C1=CC(=CC(=C1)N)C(=O)NCCS(=O)(=O)CCOS(=O)(=O)O'; added: molecular_mass, monoisotopic_mass |
| 260,383 | consensus_match | altLabel | [] | [{"@value":"2-[2-[(3-Aminobenzoyl)amino]ethylsulfonyl]ethyl hydrogen sulfate","@language":"en","source":{"prov:wasGener… | group_key=2-({2-[(3-aminobenzoyl)amino]ethyl}sulfonyl)ethylhydrogensulfate||dimension=Environmental > media=Water > water_body=Unknown; cas=121315-20-6; added Common Chemistry CAS names as altLabel: 2-[2-[(3-Aminobenzoyl)amino]ethylsulfonyl]ethyl hydrogen sulfate, 3-Amino-2′-(2-sulfatoethylsulfonyl)ethylbenzamide, 3-Amino-<em>N</em>-[2-[[2-(sulfooxy)ethyl]sulfonyl]ethyl]benzamide, Benzamide, 3-amino-<em>N</em>-[2-[[2-(sulfooxy)ethyl]sulfonyl]ethyl]-; object_uuid=fo-005ded6336d4e1dc |
| 260,384 | consensus_match | cas_match_labels | — | {"121315-20-6":"exactMatch"} | group_key=2-({2-[(3-aminobenzoyl)amino]ethyl}sulfonyl)ethylhydrogensulfate||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['pubchem']; cas_sources={'121315-20-6': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-005ded6336d4e1dc: {'121315-20-6': 'exactMatch'} |
| 274,030 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C11H16N2O7… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C11H16N2O7… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '2-({2-[(3-aminobenzoyl)amino]ethyl}sulfonyl)ethyl Hydrogen Sulfate' |
| 280,437 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C11H16N2O7… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C11H16N2O7… | rdkit_post_consensus from 'Nc1cccc(C(=O)NCCS(=O)(=O)CCOS(=O)(=O)O)c1'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 292,078 | dedupe_altlabels | altLabel | [{"@value":"2-[2-[(3-Aminobenzoyl)amino]ethylsulfonyl]ethyl hydrogen sulfate","@language":"en","source":{"prov:wasGener… | [{"@value":"2-[2-[(3-Aminobenzoyl)amino]ethylsulfonyl]ethyl hydrogen sulfate","@language":"en","source":{"prov:wasGener… | Deduplicated altLabel values and removed entries matching prefLabel |
| 311,437 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/247c376c-1d6b-… | associations resolved on the elementary layer |
| 388,320 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C11H16N2O7… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C11H16N2O7… | typed the way the ontology types it |
| 395,004 | 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/20260821T1122181958110000/2148 | prefLabel | ef:agent/bootstrap_labels | ef:flow/247c376c-1d6b-4147-93b8-9062897a77a7/v0 | ef:flow/247c376c-1d6b-4147-93b8-9062897a77a7/v1 |
| ef:activity/change/20260821T1122181958110000/2149 | name | ef:agent/bootstrap_labels | ef:flow/247c376c-1d6b-4147-93b8-9062897a77a7/v1 | ef:flow/247c376c-1d6b-4147-93b8-9062897a77a7/v2 |
| ef:activity/change/20260821T1122181958110000/2150 | synonyms | ef:agent/bootstrap_labels | ef:flow/247c376c-1d6b-4147-93b8-9062897a77a7/v2 | ef:flow/247c376c-1d6b-4147-93b8-9062897a77a7/v3 |
| ef:activity/change/20260821T1122181958110000/60840 | context | ef:agent/default_context_mapping | ef:flow/247c376c-1d6b-4147-93b8-9062897a77a7/v3 | ef:flow/247c376c-1d6b-4147-93b8-9062897a77a7/v4 |
| ef:activity/change/20260821T1122181958110000/60841 | context_iri | ef:agent/default_context_mapping | ef:flow/247c376c-1d6b-4147-93b8-9062897a77a7/v4 | ef:flow/247c376c-1d6b-4147-93b8-9062897a77a7/v5 |
| ef:activity/change/20260821T1122181958110000/214055 | unit_iri | ef:agent/unit_normalization | ef:flow/247c376c-1d6b-4147-93b8-9062897a77a7/v5 | ef:flow/247c376c-1d6b-4147-93b8-9062897a77a7/v6 |
| ef:activity/change/20260821T1122181958110000/221587 | prefLabel | ef:agent/normalize_name_case | ef:flow/247c376c-1d6b-4147-93b8-9062897a77a7/v6 | ef:flow/247c376c-1d6b-4147-93b8-9062897a77a7/v7 |
| ef:activity/change/20260821T1122181958110000/229246 | properties | ef:agent/enrich_references | ef:flow/247c376c-1d6b-4147-93b8-9062897a77a7/v7 | ef:flow/247c376c-1d6b-4147-93b8-9062897a77a7/v8 |
| ef:activity/change/20260821T1122181958110000/229247 | skos_definition | ef:agent/enrich_references | ef:flow/247c376c-1d6b-4147-93b8-9062897a77a7/v8 | ef:flow/247c376c-1d6b-4147-93b8-9062897a77a7/v9 |
| ef:activity/change/20260821T1122181958110000/229248 | references | ef:agent/enrich_references | ef:flow/247c376c-1d6b-4147-93b8-9062897a77a7/v9 | ef:flow/247c376c-1d6b-4147-93b8-9062897a77a7/v10 |
| ef:activity/change/20260821T1122181958110000/248912 | properties | ef:agent/rdkit_pre_consensus | ef:flow/247c376c-1d6b-4147-93b8-9062897a77a7/v10 | ef:flow/247c376c-1d6b-4147-93b8-9062897a77a7/v11 |
| ef:activity/change/20260821T1122181958110000/260383 | altLabel | ef:agent/consensus_match | ef:flow/247c376c-1d6b-4147-93b8-9062897a77a7/v11 | ef:flow/247c376c-1d6b-4147-93b8-9062897a77a7/v12 |
| ef:activity/change/20260821T1122181958110000/260384 | cas_match_labels | ef:agent/consensus_match | ef:flow/247c376c-1d6b-4147-93b8-9062897a77a7/v12 | ef:flow/247c376c-1d6b-4147-93b8-9062897a77a7/v13 |
| ef:activity/change/20260821T1122181958110000/274030 | properties | ef:agent/opsin_iupac | ef:flow/247c376c-1d6b-4147-93b8-9062897a77a7/v13 | ef:flow/247c376c-1d6b-4147-93b8-9062897a77a7/v14 |
| ef:activity/change/20260821T1122181958110000/280437 | properties | ef:agent/rdkit_post_consensus | ef:flow/247c376c-1d6b-4147-93b8-9062897a77a7/v14 | ef:flow/247c376c-1d6b-4147-93b8-9062897a77a7/v15 |
| ef:activity/change/20260821T1122181958110000/292078 | altLabel | ef:agent/dedupe_altlabels | ef:flow/247c376c-1d6b-4147-93b8-9062897a77a7/v15 | ef:flow/247c376c-1d6b-4147-93b8-9062897a77a7/v16 |
| ef:activity/change/20260821T1122181958110000/311437 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/247c376c-1d6b-4147-93b8-9062897a77a7/v16 | ef:flow/247c376c-1d6b-4147-93b8-9062897a77a7/v17 |
| ef:activity/change/20260821T1122181958110000/388320 | properties | ef:agent/normalise_property_values | ef:flow/247c376c-1d6b-4147-93b8-9062897a77a7/v17 | ef:flow/247c376c-1d6b-4147-93b8-9062897a77a7/v18 |
| ef:activity/change/20260821T1122181958110000/395004 | types | ef:agent/link_flows_to_their_substance | ef:flow/247c376c-1d6b-4147-93b8-9062897a77a7/v18 | ef:flow/247c376c-1d6b-4147-93b8-9062897a77a7/v19 |