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Name:A3D
PubChem ID:123927
Pathway:Show KEGG pathways
InChI:InChI=1/C22H28N6O14P2/c1-10(29)11-3-2-4-27(5-11)21-17(32)15(30)12(40-21)6-38-43(34,35)42-44(36,37)39-7-13-16(31)18(33)22(41-13)28-9-26-14-19(23)24-8-25-20(14)28/h2-5,8-9,12-13,15-18,21-22,30-33H,6-7H2,1H3,(H3-,23,24,25,34,35,36,37)/p+1/t12-,13-,15-,16-,17-,18-,21-,22-/m1/s1/fC22H29N6O14P2/h34,36H,23H2/q+1
SMILES:CC(c1ccc[n+](c1)[C@H]1([C@H]([C@H]([C@@H](COP(O)(=O)OP(O)(=O)OC[C@H]2[C@H]([C@H]([C@@H](n3cnc4c(N)ncnc34)O2)O)O)O1)O)O))=O

Properties:
Formula:C22H29N6O14P2Atoms:52
Molecular Weight:663.445Rotatable Bonds:11
H-bond Acceptors:18H-bond Donors:0
logP:-1.331
Targets:
NameUniprot IDSourceReferencesInteraction
Dihydrodipicolinate reductaseDAPB_ECOLIDrugBank-shows
Synonyms:
A3D
AC1L3XKD
AcPyAD
CID123927
[[(2R,3S,4R,5R)-5-(3-acetylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]me