3'-sialyllactose sodium salt

cas:128596-80-5 chemically defined MAPPED CHEBI NARROW_MATCH

Ontology mapping

Primary identifier
cas:128596-80-5
Ontology term
CHEBI:151472 — N-acetyl-alpha-neuraminyl-(2->3)-beta-D-galactosyl-(1->4)-D-glucose
Ontology label
N-acetyl-alpha-neuraminyl-(2->3)-beta-D-galactosyl-(1->4)-D-glucose

Nutritional roles

Chemical properties

Cas rn
128596-80-5
Data source
CultureBotHT compounds_to_cas.csv
Retrieval date
2026-04-29T06:51:33.117170+00:00
Molecular formula
C23H38NNaO19
Smiles
CC(=O)NC1C(CC(OC1C(C(CO)O)O)(C(=O)[O-])OC2C(C(OC(C2O)OC(C(CO)O)C(C(C=O)O)O)CO)O)O.[Na+]
Inchi
InChI=1S/C23H39NO19.Na/c1-7(29)24-13-8(30)2-23(22(38)39,42-19(13)15(35)10(32)4-26)43-20-16(36)12(6-28)40-21(17(20)37)41-18(11(33)5-27)14(34)9(31)3-25;/h3,8-21,26-28,30-37H,2,4-6H2,1H3,(H,24,29)(H,38,39);/q;+1/p-1/t8-,9-,10+,11+,12+,13+,14+,15+,16-,17+,18+,19+,20-,21-,23-;/m0./s1
Pubchem cid
71308479

Evidence (3)

DATABASE_MATCH via CultureBotHT

Imported from CultureBotHT. CAS-RN 128596-80-5 present, but no CHEBI entry exists (checked OAK CHEBI sqlite + PubChem CID synonyms). Curator can promote to a CHEBI primary if/when CHEBI adds the term.

DATABASE_MATCH via CHEBI via OLS (stem-substring)

SUPERSEDED (#312): Parent class identified via stem-substring; matched_via="3'-sialyllactose sodium salt"

MANUAL_CURATION via MIM curation (#312); chebi.db

parent CHEBI:26714 ('sodium salt') -> CHEBI:151472 ('N-acetyl-alpha-neuraminyl-(2->3)-beta-D-galactosyl-(1->4)-D-glucose'). CHEBI:26714 'sodium salt' is the class of all sodium salts: it keeps the counterion and discards the compound (#322). The label names 3'-sialyllactose, and ChEBI has it: CHEBI:151472 carries the related synonym "3'-sialyllactose" and xref cas:35890-38-1 (the free trisaccharide). The reground_compositional_classes NO_PARENT claim 'no sialyllactose term of any form' was false. cas:128596-80-5 identity, NARROW_MATCH grade and both registry rows unchanged (Section 3 step 2, #245).

Occurrence statistics

Total occurrences
0
Distinct media
0

Curation history

TimestampCuratorActionNew statusChanges
2026-04-29T06:51:33.117170+00:00 audit_add_remaining_culturebotht CREATED_FROM_CAS_FALLBACK MAPPED Created with cas:128596-80-5 as primary identifier; no CHEBI entry exists for this compound.
2026-05-01T07:35:31.861288+00:00 auto_classify_ingredient_type AUTO_CLASSIFY_INGREDIENT_TYPE set ingredient_type=SINGLE_INGREDIENT (cas: primary (defined chemical))
2026-05-02T02:51:20.606131+00:00 auto_classify_ingredient_type AUTO_BACKFILL_PUBCHEM_CHEMISTRY molecular_formula=C23H38NNaO19; smiles=CC(=O)NC1C(CC(OC1C(C(CO)O)O)(C(=O)[O-])OC2C(C(OC(C; inchi=InChI=1S/C23H39NO19.Na/c1-7(29)24-13-8(30)2-23(22(
2026-05-02T03:12:12.030423+00:00 auto_classify_ingredient_type AUTO_CLASSIFY_INGREDIENT_TYPE set ingredient_type=SINGLE_INGREDIENT (chemical structure populated (molecular_formula))
2026-05-02T04:37:54.665211+00:00 backfill_parent_terms BACKFILL_PARENT_CHEBI set ontology_mapping parent=CHEBI:26714 (stem-substring)
2026-06-03T02:06:01.732555+00:00 infer_roles_from_name_lists ANNOTATED Added media role: CARBON_SOURCE (confidence: 0.80)
2026-07-20T00:00:00+00:00 migrate_media_roles_to_facets ANNOTATED Migrated legacy media_roles to role facets (#128): CARBON_SOURCE -> nutritional_roles.CARBON_SOURCE
2026-09-22T23:25:51.030915+00:00 claude LLM REGROUNDED_PARENT_TERM MAPPED broadMatch parent CHEBI:26714 ('sodium salt') -> CHEBI:151472 ('N-acetyl-alpha-neuraminyl-(2->3)-beta-D-galactosyl-(1->4)-D-glucose') (#312). CHEBI:26714 'sodium salt' is the class of all sodium salts: it keeps the counterion and discards the compound (#322). The label names 3'-sialyllactose, and ChEBI has it: CHEBI:151472 carries the related synonym "3'-sialyllactose" and xref cas:35890-38-1 (the free trisaccharide). The reground_compositional_classes NO_PARENT claim 'no sialyllactose term of any form' was false. cas:128596-80-5 identity, NARROW_MATCH grade and both registry rows unchanged (Section 3 step 2, #245).