CID 126961213

Udp-4-amino-d-fucose

Structural Information

Molecular Formula
C15H25N3O15P2
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)N
InChI
InChI=1S/C15H25N3O15P2/c1-5-8(16)10(21)12(23)14(30-5)32-35(27,28)33-34(25,26)29-4-6-9(20)11(22)13(31-6)18-3-2-7(19)17-15(18)24/h2-3,5-6,8-14,20-23H,4,16H2,1H3,(H,25,26)(H,27,28)(H,17,19,24)/t5-,6-,8+,9-,10+,11-,12-,13-,14-/m1/s1
InChIKey
HZXAVZMSVAEUFS-ABVWGUQPSA-N
Compound name
[(2R,3R,4S,5R,6R)-5-amino-3,4-dihydroxy-6-methyloxan-2-yl] [[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

549.0761 Da
Monoisotopic Mass

-8.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 550.08338 209.8
[M+Na]+ 572.06532 211.9
[M-H]- 548.06882 205.3
[M+NH4]+ 567.10992 209.4
[M+K]+ 588.03926 209.8
[M+H-H2O]+ 532.07336 198.5
[M+HCOO]- 594.07430 211.9
[M+CH3COO]- 608.08995 242.4
[M+Na-2H]- 570.05077 218.4
[M]+ 549.07555 202.3
[M]- 549.07665 202.3
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.