CID 174549

S-methyl-5-thio-d-ribulose 1-phosphate

Structural Information

Molecular Formula
C6H13O7PS
SMILES
CSC[C@H]([C@H](C(=O)COP(=O)(O)O)O)O
InChI
InChI=1S/C6H13O7PS/c1-15-3-5(8)6(9)4(7)2-13-14(10,11)12/h5-6,8-9H,2-3H2,1H3,(H2,10,11,12)/t5-,6+/m1/s1
InChIKey
CNSJRYUMVMWNMC-RITPCOANSA-N
Compound name
[(3R,4S)-3,4-dihydroxy-5-methylsulfanyl-2-oxopentyl] dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

10
References

49
Patents

260.01196 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.01924 154.1
[M+Na]+ 283.00118 157.1
[M+NH4]+ 278.04578 156.4
[M+K]+ 298.97512 156.9
[M-H]- 259.00468 146.6
[M+Na-2H]- 280.98663 150.5
[M]+ 260.01141 151.9
[M]- 260.01251 151.9
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