mannopine (CHEBI:80662)

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ChEBI Name	mannopine

ChEBI ID	CHEBI:80662

Definition	A hexitol derivative that is D-mannitol in which the hydroxy group at position 1 is replaced by the α-amino group of L-glutamine. It is produced in crown gall tumours induced in a wide range of dicotyledenous plants by Agrobacterium tumefaciens.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

Formula

C11H22N2O8

Net Charge

Average Mass

310.30100

Monoisotopic Mass

310.13762

InChI

InChI=1S/C11H22N2O8/c12-8(17)2-1-5(11(20)21)13-3-6(15)9(18)10(19)7(16)4-14/h5-7,9-10,13-16,18-19H,1-4H2,(H2,12,17)(H,20,21)/t5-,6+,7+,9+,10+/m0/s1

InChIKey

VPRLICVDSGMIKO-SZWOQXJISA-N

SMILES

NC(=O)CC[C@H](NC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)C(O)=O

Roles Classification
Chemical Role(s):	Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound ) Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

Biological Role(s):	plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. bacterial metabolite Any prokaryotic metabolite produced during a metabolic reaction in bacteria. (via opine )

ChEBI Ontology
Outgoing	mannopine (CHEBI:80662) has functional parent D-mannitol (CHEBI:16899) mannopine (CHEBI:80662) has role plant metabolite (CHEBI:76924) mannopine (CHEBI:80662) is a L-glutamine derivative (CHEBI:24317) mannopine (CHEBI:80662) is a amino acid opine (CHEBI:83229) mannopine (CHEBI:80662) is a dicarboxylic acid monoamide (CHEBI:35735) mannopine (CHEBI:80662) is a hexitol derivative (CHEBI:63430) mannopine (CHEBI:80662) is a non-proteinogenic L-α-amino acid (CHEBI:83822) mannopine (CHEBI:80662) is a secondary amino compound (CHEBI:50995)

IUPAC Name

N²-(1'-deoxy-D-mannitol-1'-yl)-L-glutamine

Synonyms	Sources
1-{[(1S)-4-amino-1-carboxy-4-oxobutyl]amino}-1-deoxy-D-mannitol	IUPAC
N^α-(1-D-mannityl)-L-glutamine	ChEBI

Last Modified

26 March 2015