CID 14132229

(r)-pantothenic acid 4'-o-b-d-glucoside

Structural Information

Molecular Formula
C15H27NO10
SMILES
CC(C)(COC1C(C(C(C(O1)CO)O)O)O)C(C(=O)NCCC(=O)O)O
InChI
InChI=1S/C15H27NO10/c1-15(2,12(23)13(24)16-4-3-8(18)19)6-25-14-11(22)10(21)9(20)7(5-17)26-14/h7,9-12,14,17,20-23H,3-6H2,1-2H3,(H,16,24)(H,18,19)
InChIKey
GMURXYJSTRMISD-UHFFFAOYSA-N
Compound name
3-[[2-hydroxy-3,3-dimethyl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutanoyl]amino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

381.16348 Da
Monoisotopic Mass

-2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.17076 183.3
[M+Na]+ 404.15270 184.2
[M+NH4]+ 399.19730 182.4
[M+K]+ 420.12664 188.1
[M-H]- 380.15620 177.4
[M+Na-2H]- 402.13815 177.0
[M]+ 381.16293 180.6
[M]- 381.16403 180.6
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.