input word = C00059704

Metabolite InformationStructural formula
Name N6-Benzyladenosine-5'-monophosphate
Formula C17H20N5O7P
Mw 437.11003452
CAS RN 13484-66-7
C_ID C00059704
InChIKey DWVANBHPEPSMOV-UHFFFAOYSA-N
InChICode InChI=1S/C17H20N5O7P.2Na/c23-13-11(7-28-30(25,26)27)29-17(14(13)24)22-9-21-12-15(19-8-20-16(12)22)18-6-10-4-2-1-3-5-10;;/h1-5,8-9,11,13-14,17,23-24H,6-7H2,(H,18,19,20)(H2,25,26,27);;/q;2*+1/p-2/t11-,13-,14-,17-;;/m1../s1;InChI=1S/C17H20N5O7P/c23-13-11(7-28-30(25,26)27)29-17(14(13)24)22-9-21-12-15(19-8-20-16(12)22)18-6-10-4-2-1-3-5-10/h1-5,8-9,11,13-14,17,23-24H,6-7H2,(H,18,19,20)(H2,25,26,27)/t11-,13-,14-,17-/m1/s1
SMILES O=P(O)(O)OCC1OC(n2cnc3c(NCc4ccccc4)ncnc32)C(O)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePalmaeCocos nucifera Ref.
PlantaeSolanaceaeSolanum lycopersicum Ref.
zoom in