Met009189: t(6)a
Metabolite Information
Name
t(6)a
IUPAC Name
(2S,3R)-2-[[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]carbamoylamino]-3-hydroxybutanoic acid
Molecular Formula
C15H20N6O8
Molecular Weight
412.35
Exact Mass
412.1342616
SMILES
CC(C(C(=O)O)NC(=O)NC1=C2C(=NC=N1)N(C=N2)C3C(C(C(O3)CO)O)O)O
InChIKey
UNUYMBPXEFMLNW-DWVDDHQFSA-N
InChI
InChI=1S/C15H20N6O8/c1-5(23)7(14(26)27)19-15(28)20-11-8-12(17-3-16-11)21(4-18-8)13-10(25)9(24)6(2-22)29-13/h3-7,9-10,13,22-25H,2H2,1H3,(H,26,27)(H2,16,17,19,20,28)/t5-,6-,7+,9-,10-,13-/m1/s1
Other Databases Link
Structure
2D Structure
3D Structure
Classification
(data sourced from ClassyFire)
Kingdom:
Organic compounds
Superclass:
Nucleosides, nucleotides, and analogues
Class:
Purine nucleosides
Subclass:
NA
Crops containing this metabolite
astragalus
wheat
morus
s_miltiorrhiza
leonurus
banana
carrot
cucumber
garlic
mango
muskmelon
pea
peanut
potato
taro
turnip
wheat
morus
s_miltiorrhiza
leonurus
banana
carrot
cucumber
garlic
mango
muskmelon
pea
peanut
potato
taro
turnip
Metabolite Spectrum Accession Label