CID 161460

Fuc(a1-3)gal(b1-4)glc

Structural Information

Molecular Formula
C18H32O15
SMILES
C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@H]2[C@H]([C@H](O[C@H]([C@@H]2O)O[C@@H]3[C@H](OC([C@@H]([C@H]3O)O)O)CO)CO)O)O)O)O
InChI
InChI=1S/C18H32O15/c1-4-7(21)9(23)12(26)17(29-4)33-15-8(22)5(2-19)31-18(13(15)27)32-14-6(3-20)30-16(28)11(25)10(14)24/h4-28H,2-3H2,1H3/t4-,5+,6+,7+,8-,9+,10+,11+,12-,13+,14+,15-,16?,17-,18-/m0/s1
InChIKey
AUNPEJDACLEKSC-ZAYDSPBTSA-N
Compound name
(2S,3S,4R,5S,6S)-2-[(2R,3S,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-4-yl]oxy-6-methyloxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

44
References

3561
Patents

488.17413 Da
Monoisotopic Mass

-5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 489.18141 211.3
[M+Na]+ 511.16335 210.9
[M-H]- 487.16685 202.8
[M+NH4]+ 506.20795 210.2
[M+K]+ 527.13729 211.3
[M+H-H2O]+ 471.17139 205.2
[M+HCOO]- 533.17233 212.7
[M+CH3COO]- 547.18798 231.1
[M+Na-2H]- 509.14880 234.9
[M]+ 488.17358 207.1
[M]- 488.17468 207.1
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