2-Amino-5-epi-valiolone (CHEBI:176917)

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CHEBI:176917 - 2-Amino-5-epi-valiolone

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ChEBI ID	CHEBI:176917
ChEBI Name	2-Amino-5-epi-valiolone
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C7H13NO5
Net Charge	0
Average Mass	191.183
Monoisotopic Mass	191.07937
SMILES	NC1C(=O)C[C@@](O)(CO)[C@@H](O)[C@@H]1O
InChI	InChI=1S/C7H13NO5/c8-4-3(10)1-7(13,2-9)6(12)5(4)11/h4-6,9,11-13H,1-2,8H2/t4?,5-,6+,7-/m1/s1
InChIKey	NGDSVOUNTHIXSQ-HDLDFLEYSA-N

Species of Metabolite	Component	Source	Comments
Streptococcus mutans (ncbitaxon:1309)	biofilm (BTO:0002690)	MetaboLights (MTBLS3020)	Strain: Streptococcus mutans UA159 [NCBI:txid210007]

ChEBI Ontology

Outgoing Relation(s)
	2-Amino-5-epi-valiolone (CHEBI:176917) is a amino cyclitol (CHEBI:61689)

IUPAC Name
(3R,4S,5R)-2-amino-3,4,5-trihydroxy-5-(hydroxymethyl)cyclohexan-1-one

Manual Xrefs	Databases
C21247	KEGG COMPOUND