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CHEBI:82808 - agrocinopine D

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.
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
Escherichia coli metabolite  Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
Saccharomyces cerevisiae metabolite  Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
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