Terminology Service for NFDI4Health
mannopine
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http://purl.obolibrary.org/obo/CHEBI_80662
A hexitol derivative that is D-mannitol in which the hydroxy group at position 1 is replaced by the alpha-amino group of L-glutamine. It is produced in crown gall tumours induced in a wide range of dicotyledenous plants by Agrobacterium tumefaciens.
Term info
Label
mannopine
Synonyms
- N(2)-(1'-deoxy-D-mannitol-1'-yl)-L-glutamine
Subsets
3_STAR
charge
0
formula
C11H22N2O8
has obo namespace
chebi_ontology
has related synonym
N(alpha)-(1-D-mannityl)-L-glutamine, 1-{[(1S)-4-amino-1-carboxy-4-oxobutyl]amino}-1-deoxy-D-mannitol
id
CHEBI:80662
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
mass
310.30100
monoisotopicmass
310.13762
smiles
NC(=O)CC[C@H](NC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)C(O)=O