CID 443201

1-deoxy-d-xylulose 5-phosphate

Structural Information

Molecular Formula

C₅H₁₁O₇P

SMILES

CC(=O)[C@H]([C@@H](COP(=O)(O)O)O)O

InChI

InChI=1S/C5H11O7P/c1-3(6)5(8)4(7)2-12-13(9,10)11/h4-5,7-8H,2H2,1H3,(H2,9,10,11)/t4-,5-/m1/s1

InChIKey

AJPADPZSRRUGHI-RFZPGFLSSA-N

Compound name

[(2R,3S)-2,3-dihydroxy-4-oxopentyl] dihydrogen phosphate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 84
References: 3315
Patents: 214.02425 Da
Monoisotopic Mass: -3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	215.03153	143.8
[M+Na]+	237.01347	147.9
[M+NH4]+	232.05807	146.1
[M+K]+	252.98741	149.8
[M-H]-	213.01697	136.3
[M+Na-2H]-	234.99892	141.0
[M]+	214.02370	141.3
[M]-	214.02480	141.3

Literature stripe

literature stripe

Patent stripe

patents stripe