CID 135398578

Guanosine-5'-diphosphate-rhamnose

Structural Information

Molecular Formula
C16H25N5O15P2
SMILES
C[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C3N=C(NC4=O)N)O)O)O)O)O
InChI
InChI=1S/C16H25N5O15P2/c1-4-7(22)9(24)11(26)15(33-4)35-38(30,31)36-37(28,29)32-2-5-8(23)10(25)14(34-5)21-3-18-6-12(21)19-16(17)20-13(6)27/h3-5,7-11,14-15,22-26H,2H2,1H3,(H,28,29)(H,30,31)(H3,17,19,20,27)/t4-,5-,7-,8-,9+,10-,11+,14-,15-/m1/s1
InChIKey
LQEBEXMHBLQMDB-GDJBGNAASA-N
Compound name
[[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl] hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

250
References

6170
Patents

589.0822 Da
Monoisotopic Mass

-5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 590.08948 216.9
[M+Na]+ 612.07142 219.6
[M-H]- 588.07492 210.4
[M+NH4]+ 607.11602 216.1
[M+K]+ 628.04536 219.2
[M+H-H2O]+ 572.07946 205.0
[M+HCOO]- 634.08040 218.3
[M+CH3COO]- 648.09605 222.7
[M+Na-2H]- 610.05687 215.3
[M]+ 589.08165 209.8
[M]- 589.08275 209.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe