Sodium 2-(methylamino)ethanesulfonate
Everything that changed this flow. Back to the flow
a7d80aba-dd70-439c-9ff6-a0e4f52637ca
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, 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=sodium2-(methylamino)ethanesulfonate||dimension=Environmental > media=Air > strata=Long-term; group_sources=['ec_inventory', 'pubchem']; cas_sources={'4316-74-9': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-4cbcaf848aa08943: {'4316-74-9': '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 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=['4316-74-9']; matched_chebi_ids=[]; candidate_pubchem_cids=[216643, 6994586, 23684896, 87136779, 176507844]; selected_pubchem_cids=[87136779]; 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 |
|---|---|---|---|---|---|
| 405 | bootstrap_labels | prefLabel | — | [{"@value":"sodium 2-(methylamino)ethanesulfonate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels",… | Bootstrapped prefLabel from legacy name field |
| 406 | bootstrap_labels | name | sodium 2-(methylamino)ethanesulfonate | — | Purged legacy name field to enforce prefLabel usage |
| 407 | bootstrap_labels | synonyms | ["organic","sodiumn-methyltaurinate","n-methyltaurin40","n-methyltaurin62"] | [] | Removed legacy synonyms field in favor of structured labels |
| 149,624 | 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 |
| 149,625 | 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 |
| 213,474 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 221,187 | normalize_name_case | prefLabel | [{"@value":"sodium 2-(methylamino)ethanesulfonate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels",… | [{"@value":"Sodium 2-(methylamino)ethanesulfonate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels",… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 227,556 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H9NNaO3S… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 227,557 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 227,558 | enrich_references | references | [] | [{"@id":"https://commonchemistry.cas.org/detail?cas_rn=4316-74-9","provenance":{"prov:wasGeneratedBy":"enrich_reference… | Added references with provenance; cas_numbers=['4316-74-9']; matched_chebi_ids=[]; candidate_pubchem_cids=[216643, 6994586, 23684896, 87136779, 176507844]; selected_pubchem_cids=[87136779]; 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 |
| 248,425 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H9NNaO3S… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H9NNaO3S… | rdkit_pre_consensus from 'CNCCS(=O)(=O)O.[Na]'; added: molecular_mass, monoisotopic_mass |
| 271,729 | consensus_match | altLabel | [] | [{"@value":"2-(Methylamino)ethanesulfonic acid sodium salt","@language":"en","source":{"prov:wasGeneratedBy":"consensus… | group_key=sodium2-(methylamino)ethanesulfonate||dimension=Environmental > media=Air > strata=Long-term; cas=4316-74-9; added Common Chemistry CAS names as altLabel: 2-(Methylamino)ethanesulfonic acid sodium salt, <em>N</em>-Methyltaurate sodium salt, <em>N</em>-Methyltaurine monosodium salt, <em>N</em>-Methyltaurine sodium salt, Ethanesulfonic acid, 2-(methylamino)-, monosodium salt, Ethanesulfonic acid, 2-(methylamino)-, sodium salt (1:1), Methyltaurine sodium salt, Sodium (methylamino)ethanesulfonate, Sodium 2-(<em>N</em>-methylamino)ethanesulfonate, Sodium <em>N</em>-methylaminoethanesulfonate, Sodium <em>N</em>-methyltaurate, Sodium <em>N</em>-methyltaurinate, Sodium <em>N</em>-methyltaurine, Sodium methyltaurate, Sodium methyltaurine, Taurine, <em>N</em>-methyl-, monosodium salt, Taurine, <em>N</em>-methyl-, sodium salt; object_uuid=fo-4cbcaf848aa08943 |
| 271,730 | consensus_match | cas_match_labels | — | {"4316-74-9":"exactMatch"} | group_key=sodium2-(methylamino)ethanesulfonate||dimension=Environmental > media=Air > strata=Long-term; group_sources=['ec_inventory', 'pubchem']; cas_sources={'4316-74-9': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-4cbcaf848aa08943: {'4316-74-9': 'exactMatch'} |
| 273,565 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H9NNaO3S… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H9NNaO3S… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Sodium 2-(methylamino)ethanesulfonate' |
| 279,923 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H9NNaO3S… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H8NNaO3S… | rdkit_post_consensus from 'CNCCS(=O)(=O)[O-].[Na+]'; added: inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass; confirmed: smiles_string, inchi2d_string |
| 286,735 | withhold_ambiguous_mass | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H8NNaO3S… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H8NNaO3S… | withhold_ambiguous_mass: removed molecular_mass, monoisotopic_mass; the flow carries 2 candidate structures, so no one mass describes it |
| 291,989 | dedupe_altlabels | altLabel | [{"@value":"2-(Methylamino)ethanesulfonic acid sodium salt","@language":"en","source":{"prov:wasGeneratedBy":"consensus… | [{"@value":"2-(Methylamino)ethanesulfonic acid sodium salt","@language":"en","source":{"prov:wasGeneratedBy":"consensus… | Deduplicated altLabel values and removed entries matching prefLabel |
| 355,854 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/a7d80aba-dd70-… | associations resolved on the elementary layer |
| 394,344 | 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/20260820T0738569779880000/405 | prefLabel | ef:agent/bootstrap_labels | ef:flow/a7d80aba-dd70-439c-9ff6-a0e4f52637ca/v0 | ef:flow/a7d80aba-dd70-439c-9ff6-a0e4f52637ca/v1 |
| ef:activity/change/20260820T0738569779880000/406 | name | ef:agent/bootstrap_labels | ef:flow/a7d80aba-dd70-439c-9ff6-a0e4f52637ca/v1 | ef:flow/a7d80aba-dd70-439c-9ff6-a0e4f52637ca/v2 |
| ef:activity/change/20260820T0738569779880000/407 | synonyms | ef:agent/bootstrap_labels | ef:flow/a7d80aba-dd70-439c-9ff6-a0e4f52637ca/v2 | ef:flow/a7d80aba-dd70-439c-9ff6-a0e4f52637ca/v3 |
| ef:activity/change/20260820T0738569779880000/149624 | context | ef:agent/default_context_mapping | ef:flow/a7d80aba-dd70-439c-9ff6-a0e4f52637ca/v3 | ef:flow/a7d80aba-dd70-439c-9ff6-a0e4f52637ca/v4 |
| ef:activity/change/20260820T0738569779880000/149625 | context_iri | ef:agent/default_context_mapping | ef:flow/a7d80aba-dd70-439c-9ff6-a0e4f52637ca/v4 | ef:flow/a7d80aba-dd70-439c-9ff6-a0e4f52637ca/v5 |
| ef:activity/change/20260820T0738569779880000/213474 | unit_iri | ef:agent/unit_normalization | ef:flow/a7d80aba-dd70-439c-9ff6-a0e4f52637ca/v5 | ef:flow/a7d80aba-dd70-439c-9ff6-a0e4f52637ca/v6 |
| ef:activity/change/20260820T0738569779880000/221187 | prefLabel | ef:agent/normalize_name_case | ef:flow/a7d80aba-dd70-439c-9ff6-a0e4f52637ca/v6 | ef:flow/a7d80aba-dd70-439c-9ff6-a0e4f52637ca/v7 |
| ef:activity/change/20260820T0738569779880000/227556 | properties | ef:agent/enrich_references | ef:flow/a7d80aba-dd70-439c-9ff6-a0e4f52637ca/v7 | ef:flow/a7d80aba-dd70-439c-9ff6-a0e4f52637ca/v8 |
| ef:activity/change/20260820T0738569779880000/227557 | skos_definition | ef:agent/enrich_references | ef:flow/a7d80aba-dd70-439c-9ff6-a0e4f52637ca/v8 | ef:flow/a7d80aba-dd70-439c-9ff6-a0e4f52637ca/v9 |
| ef:activity/change/20260820T0738569779880000/227558 | references | ef:agent/enrich_references | ef:flow/a7d80aba-dd70-439c-9ff6-a0e4f52637ca/v9 | ef:flow/a7d80aba-dd70-439c-9ff6-a0e4f52637ca/v10 |
| ef:activity/change/20260820T0738569779880000/248425 | properties | ef:agent/rdkit_pre_consensus | ef:flow/a7d80aba-dd70-439c-9ff6-a0e4f52637ca/v10 | ef:flow/a7d80aba-dd70-439c-9ff6-a0e4f52637ca/v11 |
| ef:activity/change/20260820T0738569779880000/271729 | altLabel | ef:agent/consensus_match | ef:flow/a7d80aba-dd70-439c-9ff6-a0e4f52637ca/v11 | ef:flow/a7d80aba-dd70-439c-9ff6-a0e4f52637ca/v12 |
| ef:activity/change/20260820T0738569779880000/271730 | cas_match_labels | ef:agent/consensus_match | ef:flow/a7d80aba-dd70-439c-9ff6-a0e4f52637ca/v12 | ef:flow/a7d80aba-dd70-439c-9ff6-a0e4f52637ca/v13 |
| ef:activity/change/20260820T0738569779880000/273565 | properties | ef:agent/opsin_iupac | ef:flow/a7d80aba-dd70-439c-9ff6-a0e4f52637ca/v13 | ef:flow/a7d80aba-dd70-439c-9ff6-a0e4f52637ca/v14 |
| ef:activity/change/20260820T0738569779880000/279923 | properties | ef:agent/rdkit_post_consensus | ef:flow/a7d80aba-dd70-439c-9ff6-a0e4f52637ca/v14 | ef:flow/a7d80aba-dd70-439c-9ff6-a0e4f52637ca/v15 |
| ef:activity/change/20260820T0738569779880000/286735 | properties | ef:agent/withhold_ambiguous_mass | ef:flow/a7d80aba-dd70-439c-9ff6-a0e4f52637ca/v15 | ef:flow/a7d80aba-dd70-439c-9ff6-a0e4f52637ca/v16 |
| ef:activity/change/20260820T0738569779880000/291989 | altLabel | ef:agent/dedupe_altlabels | ef:flow/a7d80aba-dd70-439c-9ff6-a0e4f52637ca/v16 | ef:flow/a7d80aba-dd70-439c-9ff6-a0e4f52637ca/v17 |
| ef:activity/change/20260820T0738569779880000/355854 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/a7d80aba-dd70-439c-9ff6-a0e4f52637ca/v17 | ef:flow/a7d80aba-dd70-439c-9ff6-a0e4f52637ca/v18 |
| ef:activity/change/20260820T0738569779880000/394344 | types | ef:agent/link_flows_to_their_substance | ef:flow/a7d80aba-dd70-439c-9ff6-a0e4f52637ca/v18 | ef:flow/a7d80aba-dd70-439c-9ff6-a0e4f52637ca/v19 |