CID 53474710

2''-o-succinyl-adp-d-ribose(3-)

Structural Information

Molecular Formula
C19H27N5O17P2
SMILES
C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H](C(O4)O)OC(=O)CCC(=O)O)O)O)O)N
InChI
InChI=1S/C19H27N5O17P2/c20-16-11-17(22-5-21-16)24(6-23-11)18-14(30)12(28)7(38-18)3-36-42(32,33)41-43(34,35)37-4-8-13(29)15(19(31)39-8)40-10(27)2-1-9(25)26/h5-8,12-15,18-19,28-31H,1-4H2,(H,25,26)(H,32,33)(H,34,35)(H2,20,21,22)/t7-,8-,12-,13-,14-,15-,18-,19?/m1/s1
InChIKey
AKEYIRFGFICPER-DBTCLECXSA-N
Compound name
4-[(3R,4R,5R)-5-[[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxymethyl]-2,4-dihydroxyoxolan-3-yl]oxy-4-oxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

659.0877 Da
Monoisotopic Mass

-6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 660.09498 224.7
[M+Na]+ 682.07692 226.5
[M-H]- 658.08042 220.7
[M+NH4]+ 677.12152 224.2
[M+K]+ 698.05086 228.9
[M+H-H2O]+ 642.08496 211.5
[M+HCOO]- 704.08590 226.2
[M+CH3COO]- 718.10155 230.3
[M+Na-2H]- 680.06237 220.2
[M]+ 659.08715 219.0
[M]- 659.08825 219.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.