CID 440127

Stearoylglycerone phosphate

Structural Information

Molecular Formula

C₂₁H₄₁O₇P

SMILES

CCCCCCCCCCCCCCCCCC(=O)OCC(=O)COP(=O)(O)O

InChI

InChI=1S/C21H41O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(23)27-18-20(22)19-28-29(24,25)26/h2-19H2,1H3,(H2,24,25,26)

InChIKey

GTPATKZCXDKGQS-UHFFFAOYSA-N

Compound name

(2-oxo-3-phosphonooxypropyl) octadecanoate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 4
Patents: 436.259 Da
Monoisotopic Mass: 6.5
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]+	437.26628	211.4
[M+Na]+	459.24822	213.7
[M+NH4]+	454.29282	214.6
[M+K]+	475.22216	210.9
[M-H]-	435.25172	203.1
[M+Na-2H]-	457.23367	215.5
[M]+	436.25845	209.4
[M]-	436.25955	209.4

Literature stripe

literature stripe

Patent stripe

patents stripe