Bn-DAT (CHEBI:213304)

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CHEBI:213304 - Bn-DAT

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ChEBI ID	CHEBI:213304
ChEBI Name	Bn-DAT
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C19H26N2O6
Net Charge	0
Average Mass	378.425
Monoisotopic Mass	378.17909
SMILES	CC(=O)N[C@@H]1[C@H](OC(C)=O)[C@@H](NC(C)=O)C(OCc2ccccc2)O[C@@H]1C
WURCS	WURCS=2.0/1,1,0/[a2112m-1x_1-5_1OC(CCCCCC$4)_2NCC/3=O_3OCC/3=O_4NCC/3=O]/1/
InChI	InChI=1S/C19H26N2O6/c1-11-16(20-12(2)22)18(27-14(4)24)17(21-13(3)23)19(26-11)25-10-15-8-6-5-7-9-15/h5-9,11,16-19H,10H2,1-4H3,(H,20,22)(H,21,23)/t11-,16+,17-,18+,19?/m1/s1
InChIKey	PMFBAYZWSDMPQZ-OCLQMODVSA-N

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

ChEBI Ontology

Outgoing Relation(s)
	Bn-DAT (CHEBI:213304) is a hexose (CHEBI:18133)

IUPAC Name
[(2R,3S,4S,5R)-3,5-diacetamido-2-methyl-6-phenylmethoxyoxan-4-yl] acetate