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CHEBI:80662 - mannopine

ChEBI IDCHEBI:80662
ChEBI Namemannopine
Stars
DefinitionA 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.
Last Modified26 March 2015
DownloadsMolfile
FormulaC11H22N2O8
Net Charge0
Average Mass310.303
Monoisotopic Mass310.13762
SMILESNC(=O)CC[C@H](NC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)C(=O)O
InChIInChI=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
InChIKeyVPRLICVDSGMIKO-SZWOQXJISA-N
Roles Classification
Chemical Roles:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Roles:
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.
ChEBI Ontology
Outgoing Relation(s)
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  Source
1-{[(1S)-4-amino-1-carboxy-4-oxobutyl]amino}-1-deoxy-D-mannitolIUPAC
Nα-(1-D-mannityl)-L-glutamineChEBI
Manual XrefsDatabases
C16692KEGG COMPOUND
Registry NumbersSources
Reaxys:5081463Reaxys
CAS:87084-52-4KEGG COMPOUND
CAS:87084-52-4ChemIDplus
Citations