2-Acetamido-4-(D-alanylamino)-2,4,6-trideoxy-D-mannopyranose (CHEBI:230028)

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CHEBI:230028 - 2-Acetamido-4-(D-alanylamino)-2,4,6-trideoxy-D-mannopyranose

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ChEBI ID	CHEBI:230028
ChEBI Name	2-Acetamido-4-(D-alanylamino)-2,4,6-trideoxy-D-mannopyranose
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C11H21N3O5
Net Charge	0
Average Mass	275.305
Monoisotopic Mass	275.14812
SMILES	CC(=O)N[C@@H]1C(O)O[C@H](C)[C@@H](NC(=O)[C@@H](C)N)[C@@H]1O
WURCS	WURCS=2.0/1,1,0/[a1122m-1x_1-5_2NCC/3=O_4NCC^RC/4N/3=O]/1/
InChI	InChI=1S/C11H21N3O5/c1-4(12)10(17)14-7-5(2)19-11(18)8(9(7)16)13-6(3)15/h4-5,7-9,11,16,18H,12H2,1-3H3,(H,13,15)(H,14,17)/t4-,5-,7-,8+,9+,11?/m1/s1
InChIKey	AEVALLGLWYRNFL-PRKKQAIISA-N

Species of Metabolite	Component	Source	Comments
Mus musculus (ncbitaxon:10090)	feces (BTO:0000440)	MetaboLights (MTBLS9100)

ChEBI Ontology

Outgoing Relation(s)
	2-Acetamido-4-(D-alanylamino)-2,4,6-trideoxy-D-mannopyranose (CHEBI:230028) is a hexose (CHEBI:18133)

IUPAC Name
(2R)-N-[(2R,3S,4S,5S)-5-acetamido-4,6-dihydroxy-2-methyloxan-3-yl]-2-aminopropanamide

Manual Xrefs	Databases
C22249	KEGG COMPOUND