F-FucNAc (CHEBI:213321)

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CHEBI:213321 - F-FucNAc

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ChEBI ID	CHEBI:213321
ChEBI Name	F-FucNAc
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C12H18FNO6
Net Charge	0
Average Mass	291.275
Monoisotopic Mass	291.11182
SMILES	CC(=O)N[C@H]1[C@@H](OC(C)=O)O[C@H](C)[C@H](OC(C)=O)[C@@H]1F
WURCS	WURCS=2.0/1,1,0/[a2112m-1a_1-5_1OCC/3=O_2NCC/3=O_3F_4OCC/3=O]/1/
InChI	InChI=1S/C12H18FNO6/c1-5-11(19-7(3)16)9(13)10(14-6(2)15)12(18-5)20-8(4)17/h5,9-12H,1-4H3,(H,14,15)/t5-,9-,10-,11+,12-/m1/s1
InChIKey	DSTOBFNUIUINTB-IERLZOENSA-N

Species of Metabolite	Component	Source	Comments
Helicobacter pylori (ncbitaxon:210)	-	PubMed (34123271)

ChEBI Ontology

Outgoing Relation(s)
	F-FucNAc (CHEBI:213321) is a hexose (CHEBI:18133)

IUPAC Name
[(2R,3S,4R,5S,6R)-5-acetamido-6-acetyloxy-4-luoro-2-methyloxan-3-yl] acetate