CID 126961176

Udp-yelose

Structural Information

Molecular Formula
C20H29N3O19P2
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=CC(=O)NC3=O)O)O)O)O)NC(=O)CCC(=O)C(=O)O
InChI
InChI=1S/C20H29N3O19P2/c1-7-12(21-10(25)3-2-8(24)18(31)32)14(28)16(30)19(39-7)41-44(36,37)42-43(34,35)38-6-9-13(27)15(29)17(40-9)23-5-4-11(26)22-20(23)33/h4-5,7,9,12-17,19,27-30H,2-3,6H2,1H3,(H,21,25)(H,31,32)(H,34,35)(H,36,37)(H,22,26,33)/t7-,9-,12+,13-,14+,15-,16-,17-,19-/m1/s1
InChIKey
BEKACXKDEJMBLQ-VHPPXOPFSA-N
Compound name
5-[[(2R,3R,4S,5R,6R)-6-[[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-4,5-dihydroxy-2-methyloxan-3-yl]amino]-2,5-dioxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

677.08704 Da
Monoisotopic Mass

-6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 678.09432 226.4
[M+Na]+ 700.07626 230.0
[M+NH4]+ 695.12086 228.1
[M+K]+ 716.05020 231.2
[M-H]- 676.07976 221.6
[M+Na-2H]- 698.06171 238.1
[M]+ 677.08649 226.1
[M]- 677.08759 226.1
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.