MES [2-(N-morpholino) ethane sulfonic acid]

CHEBI:39005 chemically defined MAPPED CHEBI SYNONYM_MATCH

Ontology mapping

Primary identifier
CHEBI:39005
Ontology label
2-(N-morpholino)ethanesulfonic acid
kg-microbe node
CHEBI:39005

Physicochemical roles

Synonyms (12)

SynonymTypeSourceOccurrences
Role: Buffer; Properties: Organic compound, Defined component, Simple component RAW_TEXT CultureMech
2-(4-morpholinyl)ethanesulfonic acid EXACT_SYNONYM kg_microbe
2-(N-Morpholino)aethansulfonsaeure EXACT_SYNONYM kg_microbe
2-(N-Morpholino)ethansulfonsaeure EXACT_SYNONYM kg_microbe
2-(morpholin-4-yl)ethanesulfonic acid EXACT_SYNONYM kg_microbe
2-morpholin-4-ylethanesulfonic acid EXACT_SYNONYM kg_microbe
2-morpholinoethanesulphonic acid EXACT_SYNONYM kg_microbe
4-morpholineethanesulfonic acid EXACT_SYNONYM kg_microbe
4-morpholinethanesulfonic acid EXACT_SYNONYM kg_microbe
MES (2-Morpholinoethanesulfonic acid) EXACT_SYNONYM kg_microbe
MES (2-[N-Morpholino]ethane sulfonic acid) EXACT_SYNONYM kg_microbe
MES acids EXACT_SYNONYM kg_microbe

Chemical properties

Cas rn
4432-31-9
Data source
PubChem API (ontology label)
Retrieval date
2026-04-05T23:45:04.816425+00:00
Molecular formula
C6H13NO4S
Inchi
InChI=1S/C6H13NO4S/c8-12(9,10)6-3-7-1-4-11-5-2-7/h1-6H2,(H,8,9,10)
Smiles
O=S(=O)(O)CCN1CCOCC1

Evidence (1)

DATABASE_MATCH via CultureMech

Imported from CultureMech pipeline, quality=DIRECT_MATCH

Occurrence statistics

Total occurrences
24
Distinct media
24

Curation history

TimestampCuratorActionNew statusChanges
2026-03-09T06:54:18.022301+00:00 import_from_culturemech IMPORTED MAPPED Initial import from CultureMech pipeline
2026-04-05T19:50:50.959756+00:00 fetch_cas_rn_from_pubchem ADDED_CAS_RN MAPPED Added CAS-RN:4432-31-9 from PubChem API via name lookup (2-(N-Morpholino)ethanesulfonic acid)
2026-04-05T23:45:04.816435+00:00 fetch_cas_rn_with_preprocessing ADDED_CAS_RN MAPPED Added CAS-RN:4432-31-9 from PubChem API (ontology label) via name preprocessing (MES [2-(N-morpholino) ethane sulfonic acid])
2026-04-09T00:32:50.689620+00:00 enrich_mim_cas_rn_batch CAS_RN_ADDED MAPPED Added CAS-RN 4432-31-9 from PubChem (via CHEBI:39005)
2026-04-18T00:00:00+00:00 cbclaw_kg_microbe_sweep LLM ADDED_SYNONYMS MAPPED Added 11 synonyms from kg-microbe P4.4 enrichment: 2-(4-morpholinyl)ethanesulfonic acid, 2-(N-Morpholino)aethansulfonsaeure, 2-(N-Morpholino)ethansulfonsaeure, 2-(morpholin-4-yl)ethanesulfonic acid, 2-morpholin-4-ylethanesulfonic acid, ... (6 more)
2026-04-18T00:00:00+00:00 cbclaw_kg_microbe_sweep LLM ADDED_SYNONYMS MAPPED Added 12 synonyms from kg-microbe P4.4 enrichment: 2-(4-morpholinyl)ethanesulfonic acid, 2-(N-Morpholino)aethansulfonsaeure, 2-(N-Morpholino)ethansulfonsaeure, 2-(morpholin-4-yl)ethanesulfonic acid, 2-morpholin-4-ylethanesulfonic acid, ... (7 more)
2026-04-18T00:00:00+00:00 cbclaw_kg_microbe_sweep LLM ADDED_SYNONYMS MAPPED Added 12 synonyms from kg-microbe P4.4 enrichment: 2-(4-morpholinyl)ethanesulfonic acid, 2-(N-Morpholino)aethansulfonsaeure, 2-(N-Morpholino)ethanesulfonic acid, 2-(N-Morpholino)ethansulfonsaeure, 2-(morpholin-4-yl)ethanesulfonic acid, ... (7 more)
2026-04-19T07:39:23.955331+00:00 audit_mim_merge MERGED_FROM_DUPLICATES MAPPED Absorbed 2 duplicate MIM record(s) into this one: 2-_N-morpholinoethanesulfonic_Acid.yaml, Mes_Acids.yaml. Synonyms, curation_history, and occurrence counts were unioned/summed; winner selected by highest occurrence count with preferred_term readability tie-break.
2026-05-01T07:35:34.674786+00:00 auto_classify_ingredient_type AUTO_CLASSIFY_INGREDIENT_TYPE set ingredient_type=SINGLE_INGREDIENT (CHEBI primary)
2026-05-01T08:08:30.709920+00:00 auto_classify_ingredient_type AUTO_BACKFILL_CHEBI_CHEMISTRY molecular_formula=C6H13NO4S; inchi=InChI=1S/C6H13NO4S/c8-12(9,10)6-3-7-1-4-11-5-2-7/h; smiles=O=S(=O)(O)CCN1CCOCC1
2026-05-02T03:12:16.305545+00:00 auto_classify_ingredient_type AUTO_CLASSIFY_INGREDIENT_TYPE set ingredient_type=SINGLE_INGREDIENT (chemical structure populated (molecular_formula))
2026-05-29T23:35:36.111826+00:00 extract_roles_from_synonyms ANNOTATED Added media role: BUFFER (confidence: 1.00)
2026-07-20T00:00:00+00:00 migrate_media_roles_to_facets ANNOTATED Migrated legacy media_roles to role facets (#128): BUFFER -> physicochemical_roles.BUFFER
2026-08-10T00:00:00+00:00 regrade_synonym_matches REGRADED_EXACT_TO_SYNONYM mapping_quality EXACT_MATCH -> SYNONYM_MATCH (#317). The record's label does not equal the term's primary label '2-(N-morpholino)ethanesulfonic acid'; it matches the ChEBI synonym '2-(4-morpholinyl)ethanesulfonic acid' on CHEBI:39005. The schema defines EXACT_MATCH as a direct match to the term and SYNONYM_MATCH as a match to a known synonym, so the recorded grade overstated. ontology_id is unchanged — the term is correct. The SSSOM predicate is unaffected (both grades emit skos:exactMatch).
2026-08-27T03:16:39.519277+00:00 refresh_occurrence_statistics CORRECTED occurrence_statistics 16/16 -> 24/24 (media_count/total_occurrences), derived from distinct CultureMech recipe ids in the #337 occurrence table. The prior values came from the importer retired in #453, whose media_count counted a list truncated to 50 examples (#449). [source=ingredient_occurrences.tsv culturemech_rev=15a4da5c08 rows=194137 distinct_recipes=15257]