CHEBI:88442 - 3'-Sialyl-3-fucosyllactose

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3'-Sialyl-3-fucosyllactose
ChEBI ID CHEBI:88442
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C29H49NO23
Net Charge 0
Average Mass 779.693
Monoisotopic Mass 779.26954
InChI InChI=1S/C29H49NO23/c1-8-16(40)19(43)20(44)26(48-8)50-22(12(38)5-32)23(13(39)6-33)51-27-21(45)25(18(42)14(7-34)49-27)53-29(28(46)47)3-10(36)15(30-9(2)35)24(52-29)17(41)11(37)4-31/h5,8,10-27,31,33-34,36-45H,3-4,6-7H2,1-2H3,(H,30,35)(H,46,47)/t8-,10-,11+,12-,13+,14+,15+,16+,17+,18-,19+,20-,21+,22+,23+,24+,25-,26-,27-,29-/m0/s1
InChIKey FNCPZGGSTQEGGK-DRSOAOOLSA-N
SMILES OC[C@H]([C@@H](O)[C@]1([C@H](NC(C)=O)[C@@H](O)C[C@](O1)(O[C@@H]2[C@@H](O)[C@@H](O[C@@H]([C@@H]2O)CO)O[C@@]([C@@]([C@@H](O)C=O)(O[C@H]3[C@H]([C@H](O)[C@@H]([C@@H](O3)C)O)O)[H])([C@@H](CO)O)[H])C(O)=O)[H])O
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in breast milk (ENVO:02000031). See: PubMed
ChEBI Ontology
Outgoing 3'-Sialyl-3-fucosyllactose (CHEBI:88442) is a tetrasaccharide (CHEBI:50126)
Synonyms Sources
(2S,4S,5R,6R)-2-{[(2R,3S,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-{[(2R,3R,4R,5R)-1,2,5-trihydroxy-6-oxo-4-{[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}hexan-3-yl]oxy}oxan-4-yl]oxy}-5-acetamido-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid HMDB
3-Sialyl-3-fucosyllactose HMDB
O-(N-Acetyl-alpha-neuraminosyl)-(2->3)-O-beta-D-galactopyranosyl-(1->4)-O-[6-deoxy-alpha-L-galactopyranosyl-(1->3)]-D-glucose HMDB
O-(N-Acetyl-alpha-neuraminosyl)-(2->3)-O-beta-delta-galactopyranosyl-(1->4)-O-[6-deoxy-alpha-L-galactopyranosyl-(1->3)]-delta-glucose HMDB
Manual Xref Database
HMDB0006606 HMDB
View more database links
Registry Number Type Source
122560-33-2 CAS Registry Number KEGG COMPOUND
Citation Waiting for Citations Type Source
10683228 PubMed citation Europe PMC