PubChemLite - Pg(15:0/16:0) (C37H73O10P)

Structural Information

Molecular Formula

SMILES

CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCC)COP(=O)(O)OC[C@H](CO)O

InChI

InChI=1S/C37H73O10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-37(41)47-35(33-46-48(42,43)45-31-34(39)30-38)32-44-36(40)28-26-24-22-20-18-16-14-12-10-8-6-4-2/h34-35,38-39H,3-33H2,1-2H3,(H,42,43)/t34-,35+/m0/s1

InChIKey

XJCOWHHMMBKIKB-OIDHKYIRSA-N

Compound name

[(2R)-1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-pentadecanoyloxypropan-2-yl] hexadecanoate

Related CIDs

2D Structure

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]+	709.50142	274.4
[M+Na]+	731.48336	273.5
[M-H]-	707.48686	265.5
[M+NH4]+	726.52796	278.9
[M+K]+	747.45730	276.1
[M+H-H2O]+	691.49140	264.4
[M+HCOO]-	753.49234	271.3
[M+CH3COO]-	767.50799	275.1
[M+Na-2H]-	729.46881	252.4
[M]+	708.49359	273.0
[M]-	708.49469	273.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

709.50142

274.4

[M+Na]+

731.48336

273.5

[M-H]-

707.48686

265.5

[M+NH4]+

726.52796

278.9

[M+K]+

747.45730

276.1

[M+H-H2O]+

691.49140

264.4

[M+HCOO]-

753.49234

271.3

[M+CH3COO]-

767.50799

275.1

[M+Na-2H]-

729.46881

252.4

[M]+

708.49359

273.0

[M]-

708.49469

273.0

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Pg(15:0/16:0)

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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