CID 439212

Glycoproteins

Structural Information

Molecular Formula
C28H47N5O18
SMILES
CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@@H]2[C@H](OC([C@@H]([C@H]2O)NC(=O)C)NC(=O)C[C@@H](C(=O)N)NC(=O)C)CO)CO)O[C@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O
InChI
InChI=1S/C28H47N5O18/c1-8(37)30-11(25(29)46)4-15(40)33-26-16(31-9(2)38)19(42)23(13(6-35)47-26)50-27-17(32-10(3)39)20(43)24(14(7-36)49-27)51-28-22(45)21(44)18(41)12(5-34)48-28/h11-14,16-24,26-28,34-36,41-45H,4-7H2,1-3H3,(H2,29,46)(H,30,37)(H,31,38)(H,32,39)(H,33,40)/t11-,12+,13+,14+,16+,17+,18+,19+,20+,21-,22-,23+,24+,26?,27-,28-/m0/s1
InChIKey
LUNCCTMWZWBSKQ-QHFAZAOBSA-N
Compound name
(2S)-2-acetamido-N'-[(3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4R,5S,6R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]butanediamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

75300
References

0
Patents

741.2916 Da
Monoisotopic Mass

-8.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 742.29888 265.9
[M+Na]+ 764.28082 260.3
[M-H]- 740.28432 263.2
[M+NH4]+ 759.32542 265.1
[M+K]+ 780.25476 264.6
[M+H-H2O]+ 724.28886 256.0
[M+HCOO]- 786.28980 266.0
[M+CH3COO]- 800.30545 269.2
[M+Na-2H]- 762.26627 301.3
[M]+ 741.29105 274.5
[M]- 741.29215 274.5
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

No patent data available for this compound.