CID 17473

Udp-glucuronic acid

Structural Information

Molecular Formula
C15H22N2O18P2
SMILES
C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)O)O
InChI
InChI=1S/C15H22N2O18P2/c18-5-1-2-17(15(26)16-5)12-9(22)6(19)4(32-12)3-31-36(27,28)35-37(29,30)34-14-10(23)7(20)8(21)11(33-14)13(24)25/h1-2,4,6-12,14,19-23H,3H2,(H,24,25)(H,27,28)(H,29,30)(H,16,18,26)/t4-,6-,7+,8+,9-,10-,11+,12-,14-/m1/s1
InChIKey
HDYANYHVCAPMJV-LXQIFKJMSA-N
Compound name
(2S,3S,4S,5R,6R)-6-[[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

515
References

5530
Patents

580.0343 Da
Monoisotopic Mass

-6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 581.04158 208.6
[M+Na]+ 603.02352 209.7
[M-H]- 579.02702 205.2
[M+NH4]+ 598.06812 208.0
[M+K]+ 618.99746 207.0
[M+H-H2O]+ 563.03156 197.7
[M+HCOO]- 625.03250 210.6
[M+CH3COO]- 639.04815 215.3
[M+Na-2H]- 601.00897 216.0
[M]+ 580.03375 199.2
[M]- 580.03485 199.2
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