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

ChEBI IDCHEBI:88442
ChEBI Name3'-Sialyl-3-fucosyllactose
Stars
DownloadsMolfile
FormulaC29H49NO23
Net Charge0
Average Mass779.695
Monoisotopic Mass779.26954
SMILES[H][C@@]1([C@H](O)[C@H](O)CO)O[C@@](O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](O[C@]([H])([C@H](O)CO)[C@]([H])(O[C@@H]3O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]3O)[C@@H](O)C=O)[C@@H]2O)(C(=O)O)C[C@H](O)[C@H]1NC(C)=O
WURCSWURCS=2.0/4,4,3/[o2122h][a1221m-1a_1-5][a2112h-1b_1-5][Aad21122h-2a_2-6_5*NCC/3=O]/1-2-3-4/a3-b1_a4-c1_c3-d2
InChIInChI=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
InChIKeyFNCPZGGSTQEGGK-DRSOAOOLSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) breast milk (ENVO:02000031) PubMed (10683228)
ChEBI Ontology
Outgoing Relation(s)
3'-Sialyl-3-fucosyllactose (CHEBI:88442) is a tetrasaccharide (CHEBI:50126)
Synonyms  Source
3-Sialyl-3-fucosyllactoseHMDB
(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 acidHMDB
O-(N-Acetyl-alpha-neuraminosyl)-(2->3)-O-beta-delta-galactopyranosyl-(1->4)-O-[6-deoxy-alpha-L-galactopyranosyl-(1->3)]-delta-glucoseHMDB
O-(N-Acetyl-alpha-neuraminosyl)-(2->3)-O-beta-D-galactopyranosyl-(1->4)-O-[6-deoxy-alpha-L-galactopyranosyl-(1->3)]-D-glucoseHMDB
Manual XrefsDatabases
HMDB0006606HMDB
Registry NumbersSources
CAS:122560-33-2KEGG COMPOUND
Citations