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CHEBI:82808 - agrocinopine D

Default Structure
ChEBI IDCHEBI:82808
ChEBI Nameagrocinopine D
Stars
DefinitionA member of the class of agrocinopines that consists of two D-glucose units joined via a (2↔2)-phosphodiester linkage.
Last Modified28 August 2014
SubmitterSteve
DownloadsMolfile
FormulaC12H23O14P
Net Charge0
Average Mass422.276
Monoisotopic Mass422.08254
SMILESO=P(O)(O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O)O[C@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O
WURCSWURCS=2.0/2,2,1/[a2122h-1x_1-5][a2122h-1a_1-5]/1-2/a2-b2*OPO*/3O/3=O
InChIInChI=1S/C12H23O14P/c13-1-3-5(15)7(17)9(11(19)23-3)25-27(21,22)26-10-8(18)6(16)4(2-14)24-12(10)20/h3-20H,1-2H2,(H,21,22)/t3-,4-,5-,6-,7+,8+,9-,10-,11+,12?/m1/s1
InChIKeyDCDHSOINTWUWCZ-KNHCDGMMSA-N
Roles Classification
Biological Roles:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
Escherichia coli metabolite  Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
Saccharomyces cerevisiae metabolite  Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
fundamental metabolite  Any metabolite produced by all living cells.
fundamental metabolite  Any metabolite produced by all living cells.
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
agrocinopine D (CHEBI:82808) has role plant metabolite (CHEBI:76924)
agrocinopine D (CHEBI:82808) is a D-glucopyranose (CHEBI:4167)
agrocinopine D (CHEBI:82808) is a agrocinopine (CHEBI:82802)
Citations