CID 6102829

Udp-4-amino-4,6-dideoxy-n-acetyl-beta-l-altrosamine

Structural Information

Molecular Formula
C17H28N4O15P2
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)NC(=O)C)O)N
InChI
InChI=1S/C17H28N4O15P2/c1-6-10(18)13(25)11(19-7(2)22)16(33-6)35-38(30,31)36-37(28,29)32-5-8-12(24)14(26)15(34-8)21-4-3-9(23)20-17(21)27/h3-4,6,8,10-16,24-26H,5,18H2,1-2H3,(H,19,22)(H,28,29)(H,30,31)(H,20,23,27)/t6-,8+,10-,11+,12+,13-,14+,15+,16+/m0/s1
InChIKey
FUUMLYWEEZBCQR-NAGKVERXSA-N
Compound name
[(2R,3R,4S,5R,6S)-3-acetamido-5-amino-4-hydroxy-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
2
Annotation Hits

5
References

78
Patents

590.10266 Da
Monoisotopic Mass

-8.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 591.10994 218.5
[M+Na]+ 613.09188 220.0
[M-H]- 589.09538 214.9
[M+NH4]+ 608.13648 218.3
[M+K]+ 629.06582 218.2
[M+H-H2O]+ 573.09992 206.6
[M+HCOO]- 635.10086 220.6
[M+CH3COO]- 649.11651 255.3
[M+Na-2H]- 611.07733 229.9
[M]+ 590.10211 214.6
[M]- 590.10321 214.6
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