CID 56850977

Mannosylglucosylglycerate

Structural Information

Molecular Formula
C15H26O14
SMILES
C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@@H]2O[C@H](CO)C(=O)O)CO)O)O)O)O)O)O
InChI
InChI=1S/C15H26O14/c16-1-4-7(19)9(21)11(23)14(26-4)29-12-10(22)8(20)5(2-17)27-15(12)28-6(3-18)13(24)25/h4-12,14-23H,1-3H2,(H,24,25)/t4-,5-,6-,7-,8-,9+,10+,11+,12-,14-,15-/m1/s1
InChIKey
YYJFQOMCNVLANJ-MQZSKFSESA-N
Compound name
(2R)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

430.13226 Da
Monoisotopic Mass

-4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.13954 189.9
[M+Na]+ 453.12148 189.9
[M-H]- 429.12498 185.2
[M+NH4]+ 448.16608 190.3
[M+K]+ 469.09542 193.1
[M+H-H2O]+ 413.12952 182.6
[M+HCOO]- 475.13046 190.1
[M+CH3COO]- 489.14611 216.4
[M+Na-2H]- 451.10693 221.6
[M]+ 430.13171 188.2
[M]- 430.13281 188.2
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

No patent data available for this compound.