N-(1-deoxyfructos-1-yl)-isoleucyl-aspartate (CHEBI:202167)

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CHEBI:202167 - N-(1-deoxyfructos-1-yl)-isoleucyl-aspartate

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ChEBI ID	CHEBI:202167
ChEBI Name	N-(1-deoxyfructos-1-yl)-isoleucyl-aspartate
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C16H28N2O10
Net Charge	0
Average Mass	408.404
Monoisotopic Mass	408.17440
SMILES	CC[C@H](C)[C@H](NCC1(O)OCC(O)C(O)C1O)C(=O)N[C@@H](CC(=O)O)C(=O)O
InChI	InChI=1S/C16H28N2O10/c1-3-7(2)11(14(24)18-8(15(25)26)4-10(20)21)17-6-16(27)13(23)12(22)9(19)5-28-16/h7-9,11-13,17,19,22-23,27H,3-6H2,1-2H3,(H,18,24)(H,20,21)(H,25,26)/t7-,8-,9?,11-,12?,13?,16?/m0/s1
InChIKey	BELGAWBTHZWTMH-CCOUJTDRSA-N

Species of Metabolite	Component	Source	Comments
Streptomyces albus (ncbitaxon:1888)	-	DOI (10.1002/jlac.199619960120)

Roles Classification

Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid).

ChEBI Ontology

Outgoing Relation(s)
	N-(1-deoxyfructos-1-yl)-isoleucyl-aspartate (CHEBI:202167) is a dipeptide (CHEBI:46761)

IUPAC Name
(2S)-2-[[(2S,3S)-3-methyl-2-[(2,3,4,5-tetrahydroxyoxan-2-yl)methylamino]pentanoyl]amino]butanedioic acid

Manual Xrefs	Databases
78445662	ChemSpider