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CHEBI:168523 - 3-O-fucopyranosyl-2-acetamido-2-deoxyglucopyranose

ChEBI IDCHEBI:168523
ChEBI Name3-O-fucopyranosyl-2-acetamido-2-deoxyglucopyranose
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H25NO10
Net Charge0
Average Mass367.351
Monoisotopic Mass367.14785
SMILESCC(=O)N[C@@H](C=O)[C@@H](O[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C14H25NO10/c1-5-9(20)11(22)12(23)14(24-5)25-13(10(21)8(19)4-17)7(3-16)15-6(2)18/h3,5,7-14,17,19-23H,4H2,1-2H3,(H,15,18)/t5-,7-,8+,9+,10+,11+,12-,13+,14-/m0/s1
InChIKeyYDWJUIXDZSJZHH-MYCHVAHWSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
3-O-fucopyranosyl-2-acetamido-2-deoxyglucopyranose (CHEBI:168523) is a O-acyl carbohydrate (CHEBI:52782)
IUPAC Name 
N-[(2R,3R,4R,5R)-4,5,6-trihydroxy-1-oxo-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyhexan-2-yl]acetamide
Manual XrefsDatabases
HMDB0006700HMDB
149653ChemSpider
Registry NumbersSources
CAS:52630-68-9ChemIDplus