Sodium 2-(2-aminoethylamino)ethanesulfonate
Everything that changed this flow. Back to the flow
6735e830-8339-4155-b224-b579b08c07b1
By field
13 fields| Field | Changes | Written by | Latest note |
|---|---|---|---|
| properties | 5 | enrich_references, opsin_iupac, rdkit_post_consensus, rdkit_pre_consensus, withhold_ambiguous_mass | withhold_ambiguous_mass: removed molecular_mass, monoisotopic_mass; the flow carries 2 candidate structures, so no one mass describes it |
| altLabel | 2 | consensus_match, strip_catalogue_altlabels | Removed 6 catalogue altLabel value(s): 'A 95' (grade code), 'A 950' (grade code), 'AAS 95' (grade code), 'CA 95' (grade code), 'EES 200L' (grade code), 'N 60' (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=sodium2-(2-aminoethylamino)ethanesulfonate||dimension=Environmental > media=Air > strata=Long-term; group_sources=['ec_inventory', 'pubchem']; cas_sources={'34730-59-1': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-a793139fafc20cfb: {'34730-59-1': '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 water, unspecified |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['34730-59-1']; matched_chebi_ids=[]; candidate_pubchem_cids=[23686675, 131852726]; selected_pubchem_cids=[131852726]; 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 |
|---|---|---|---|---|---|
| 14,198 | bootstrap_labels | prefLabel | — | [{"@value":"sodium 2-(2-aminoethylamino)ethanesulfonate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_la… | Bootstrapped prefLabel from legacy name field |
| 14,199 | bootstrap_labels | name | sodium 2-(2-aminoethylamino)ethanesulfonate | — | Purged legacy name field to enforce prefLabel usage |
| 14,200 | bootstrap_labels | synonyms | ["organic","sodium2-[(2-aminoethyl)amino]ethanesulphonate"] | [] | Removed legacy synonyms field in favor of structured labels |
| 111,222 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified |
| 111,223 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified |
| 218,028 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 224,376 | normalize_name_case | prefLabel | [{"@value":"sodium 2-(2-aminoethylamino)ethanesulfonate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_la… | [{"@value":"Sodium 2-(2-aminoethylamino)ethanesulfonate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_la… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 240,623 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H12N2NaO… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 240,624 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 240,625 | enrich_references | references | [] | [{"@id":"https://commonchemistry.cas.org/detail?cas_rn=34730-59-1","provenance":{"prov:wasGeneratedBy":"enrich_referenc… | Added references with provenance; cas_numbers=['34730-59-1']; matched_chebi_ids=[]; candidate_pubchem_cids=[23686675, 131852726]; selected_pubchem_cids=[131852726]; 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 |
| 252,185 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H12N2NaO… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H12N2NaO… | rdkit_pre_consensus from 'C(CNCCS(=O)(=O)O)N.[Na]'; added: molecular_mass, monoisotopic_mass |
| 271,701 | consensus_match | altLabel | [] | [{"@value":"2-[(2-Aminoethyl)amino]ethanesulfonic acid sodium salt","@language":"en","source":{"prov:wasGeneratedBy":"c… | group_key=sodium2-(2-aminoethylamino)ethanesulfonate||dimension=Environmental > media=Air > strata=Long-term; cas=34730-59-1; added Common Chemistry CAS names as altLabel: 2-[(2-Aminoethyl)amino]ethanesulfonic acid sodium salt, <em>N</em>-(2-Aminoethyl)-2-aminoethanesulfonic acid sodium salt, <em>N</em>-(2-Sulfoethyl)ethylenediamine sodium salt, A 95, A 950, AAS, AAS 95, CA 95, EES 200L, Ethanesulfonic acid, 2-[(2-aminoethyl)amino]-, monosodium salt, Ethanesulfonic acid, 2-[(2-aminoethyl)amino]-, sodium salt (1:1), Evonik A 95, N 60, Sodium 2-[(2-aminoethyl)amino]ethanesulfonate, Sodium 2-[(2-aminoethyl)amino]ethanesulphonate, Sodium 5-amino-3-azapentane-1-sulfonate, Sodium <em>N</em>-(2-aminoethyl)-2-aminoethanesulfonate, Sodium <em>N</em>-(2-aminoethyl)aminoethanesulfonate, Steans 50, Vestamin A 95, W 01COBQV7243; object_uuid=fo-a793139fafc20cfb |
| 271,702 | consensus_match | cas_match_labels | — | {"34730-59-1":"exactMatch"} | group_key=sodium2-(2-aminoethylamino)ethanesulfonate||dimension=Environmental > media=Air > strata=Long-term; group_sources=['ec_inventory', 'pubchem']; cas_sources={'34730-59-1': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-a793139fafc20cfb: {'34730-59-1': 'exactMatch'} |
| 277,380 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H12N2NaO… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H12N2NaO… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Sodium 2-(2-aminoethylamino)ethanesulfonate' |
| 284,060 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H12N2NaO… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H11N2NaO… | rdkit_post_consensus from 'NCCNCCS(=O)(=O)[O-].[Na+]'; added: inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass; confirmed: smiles_string, inchi2d_string |
| 287,034 | withhold_ambiguous_mass | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H11N2NaO… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H11N2NaO… | withhold_ambiguous_mass: removed molecular_mass, monoisotopic_mass; the flow carries 2 candidate structures, so no one mass describes it |
| 290,164 | strip_catalogue_altlabels | altLabel | [{"@value":"2-[(2-Aminoethyl)amino]ethanesulfonic acid sodium salt","@language":"en","source":{"prov:wasGeneratedBy":"c… | [{"@value":"2-[(2-Aminoethyl)amino]ethanesulfonic acid sodium salt","@language":"en","source":{"prov:wasGeneratedBy":"c… | Removed 6 catalogue altLabel value(s): 'A 95' (grade code), 'A 950' (grade code), 'AAS 95' (grade code), 'CA 95' (grade code), 'EES 200L' (grade code), 'N 60' (grade code) |
| 336,610 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/6735e830-8339-… | associations resolved on the elementary layer |
| 399,906 | 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/20260821T1302361922970000/14198 | prefLabel | ef:agent/bootstrap_labels | ef:flow/6735e830-8339-4155-b224-b579b08c07b1/v0 | ef:flow/6735e830-8339-4155-b224-b579b08c07b1/v1 |
| ef:activity/change/20260821T1302361922970000/14199 | name | ef:agent/bootstrap_labels | ef:flow/6735e830-8339-4155-b224-b579b08c07b1/v1 | ef:flow/6735e830-8339-4155-b224-b579b08c07b1/v2 |
| ef:activity/change/20260821T1302361922970000/14200 | synonyms | ef:agent/bootstrap_labels | ef:flow/6735e830-8339-4155-b224-b579b08c07b1/v2 | ef:flow/6735e830-8339-4155-b224-b579b08c07b1/v3 |
| ef:activity/change/20260821T1302361922970000/111222 | context | ef:agent/default_context_mapping | ef:flow/6735e830-8339-4155-b224-b579b08c07b1/v3 | ef:flow/6735e830-8339-4155-b224-b579b08c07b1/v4 |
| ef:activity/change/20260821T1302361922970000/111223 | context_iri | ef:agent/default_context_mapping | ef:flow/6735e830-8339-4155-b224-b579b08c07b1/v4 | ef:flow/6735e830-8339-4155-b224-b579b08c07b1/v5 |
| ef:activity/change/20260821T1302361922970000/218028 | unit_iri | ef:agent/unit_normalization | ef:flow/6735e830-8339-4155-b224-b579b08c07b1/v5 | ef:flow/6735e830-8339-4155-b224-b579b08c07b1/v6 |
| ef:activity/change/20260821T1302361922970000/224376 | prefLabel | ef:agent/normalize_name_case | ef:flow/6735e830-8339-4155-b224-b579b08c07b1/v6 | ef:flow/6735e830-8339-4155-b224-b579b08c07b1/v7 |
| ef:activity/change/20260821T1302361922970000/240623 | properties | ef:agent/enrich_references | ef:flow/6735e830-8339-4155-b224-b579b08c07b1/v7 | ef:flow/6735e830-8339-4155-b224-b579b08c07b1/v8 |
| ef:activity/change/20260821T1302361922970000/240624 | skos_definition | ef:agent/enrich_references | ef:flow/6735e830-8339-4155-b224-b579b08c07b1/v8 | ef:flow/6735e830-8339-4155-b224-b579b08c07b1/v9 |
| ef:activity/change/20260821T1302361922970000/240625 | references | ef:agent/enrich_references | ef:flow/6735e830-8339-4155-b224-b579b08c07b1/v9 | ef:flow/6735e830-8339-4155-b224-b579b08c07b1/v10 |
| ef:activity/change/20260821T1302361922970000/252185 | properties | ef:agent/rdkit_pre_consensus | ef:flow/6735e830-8339-4155-b224-b579b08c07b1/v10 | ef:flow/6735e830-8339-4155-b224-b579b08c07b1/v11 |
| ef:activity/change/20260821T1302361922970000/271701 | altLabel | ef:agent/consensus_match | ef:flow/6735e830-8339-4155-b224-b579b08c07b1/v11 | ef:flow/6735e830-8339-4155-b224-b579b08c07b1/v12 |
| ef:activity/change/20260821T1302361922970000/271702 | cas_match_labels | ef:agent/consensus_match | ef:flow/6735e830-8339-4155-b224-b579b08c07b1/v12 | ef:flow/6735e830-8339-4155-b224-b579b08c07b1/v13 |
| ef:activity/change/20260821T1302361922970000/277380 | properties | ef:agent/opsin_iupac | ef:flow/6735e830-8339-4155-b224-b579b08c07b1/v13 | ef:flow/6735e830-8339-4155-b224-b579b08c07b1/v14 |
| ef:activity/change/20260821T1302361922970000/284060 | properties | ef:agent/rdkit_post_consensus | ef:flow/6735e830-8339-4155-b224-b579b08c07b1/v14 | ef:flow/6735e830-8339-4155-b224-b579b08c07b1/v15 |
| ef:activity/change/20260821T1302361922970000/287034 | properties | ef:agent/withhold_ambiguous_mass | ef:flow/6735e830-8339-4155-b224-b579b08c07b1/v15 | ef:flow/6735e830-8339-4155-b224-b579b08c07b1/v16 |
| ef:activity/change/20260821T1302361922970000/290164 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/6735e830-8339-4155-b224-b579b08c07b1/v16 | ef:flow/6735e830-8339-4155-b224-b579b08c07b1/v17 |
| ef:activity/change/20260821T1302361922970000/336610 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/6735e830-8339-4155-b224-b579b08c07b1/v17 | ef:flow/6735e830-8339-4155-b224-b579b08c07b1/v18 |
| ef:activity/change/20260821T1302361922970000/399906 | types | ef:agent/link_flows_to_their_substance | ef:flow/6735e830-8339-4155-b224-b579b08c07b1/v18 | ef:flow/6735e830-8339-4155-b224-b579b08c07b1/v19 |