CID 24892815

2-o-(6-phospho-alpha-mannosyl)-d-glycerate

Structural Information

Molecular Formula
C9H17O12P
SMILES
C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O[C@H](CO)C(=O)O)O)O)O)OP(=O)(O)O
InChI
InChI=1S/C9H17O12P/c10-1-3(8(14)15)20-9-7(13)6(12)5(11)4(21-9)2-19-22(16,17)18/h3-7,9-13H,1-2H2,(H,14,15)(H2,16,17,18)/t3-,4-,5-,6+,7+,9+/m1/s1
InChIKey
BOLXAGHGKNGVBE-MTXRGOKVSA-N
Compound name
(2R)-3-hydroxy-2-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(phosphonooxymethyl)oxan-2-yl]oxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

348.04578 Da
Monoisotopic Mass

-4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.05306 169.4
[M+Na]+ 371.03500 170.8
[M+NH4]+ 366.07960 168.0
[M+K]+ 387.00894 176.2
[M-H]- 347.03850 161.8
[M+Na-2H]- 369.02045 162.7
[M]+ 348.04523 166.1
[M]- 348.04633 166.1
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.