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CHEBI:184003 - 3'-alpha-sialyl-n-acetyllactosamine

Default Structure
ChEBI IDCHEBI:184003
ChEBI Name3'-alpha-sialyl-n-acetyllactosamine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H42N2O19
Net Charge0
Average Mass674.606
Monoisotopic Mass674.23818
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)[C@H](C=O)NC(C)=O)[C@H](O)CO)[C@@H]2O)(C(=O)O)C[C@H](O)[C@H]1NC(C)=O
InChIInChI=1S/C25H42N2O19/c1-8(32)26-10(4-28)16(37)20(13(36)6-30)44-23-19(40)22(18(39)14(7-31)43-23)46-25(24(41)42)3-11(34)15(27-9(2)33)21(45-25)17(38)12(35)5-29/h4,10-23,29-31,34-40H,3,5-7H2,1-2H3,(H,26,32)(H,27,33)(H,41,42)/t10-,11-,12+,13+,14+,15+,16+,17+,18-,19+,20+,21+,22-,23-,25-/m0/s1
InChIKeyRGZDLTASXRMKKF-RXEVBYPSSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) small intestine (BTO:0000651) MetaboLights (MTBLS3486) Strain: C57BL/6 Mouse [THESAURUS.OWL#C14424]
Nippostrongylus brasiliensis (ncbitaxon:27835) Whole Organism (NCIT:C13413) MetaboLights (MTBLS3486)
ChEBI Ontology
Outgoing Relation(s)
3'-alpha-sialyl-n-acetyllactosamine (CHEBI:184003) is a neuraminic acids (CHEBI:25508)
IUPAC Name 
(2S,4S,5R,6R)-5-acetamido-2-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R)-5-acetamido-1,2,4-trihydroxy-6-oxohexan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
Manual XrefsDatabases
58170955ChemSpider