CID 44575488

1-sulfoquinovosylglycerol

Structural Information

Molecular Formula
C9H18O10S
SMILES
C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC[C@@H](CO)O)O)O)O)S(=O)(=O)O
InChI
InChI=1S/C9H18O10S/c10-1-4(11)2-18-9-8(14)7(13)6(12)5(19-9)3-20(15,16)17/h4-14H,1-3H2,(H,15,16,17)/t4-,5-,6-,7+,8-,9+/m1/s1
InChIKey
JTXHNMDHGMNPEG-NZJLWHDDSA-N
Compound name
[(2S,3S,4S,5R,6S)-6-[(2R)-2,3-dihydroxypropoxy]-3,4,5-trihydroxyoxan-2-yl]methanesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

318.06207 Da
Monoisotopic Mass

-4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.06935 164.7
[M+Na]+ 341.05129 167.9
[M+NH4]+ 336.09589 165.7
[M+K]+ 357.02523 169.0
[M-H]- 317.05479 159.2
[M+Na-2H]- 339.03674 160.1
[M]+ 318.06152 163.1
[M]- 318.06262 163.1
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

No patent data available for this compound.