PubChemLite - Pg(p-16:0/15:0) (C37H73O9P)

Structural Information

Molecular Formula

SMILES

CCCCCCCCCCCCCC/C=C\OC[C@H](COP(=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCCCCCCCC

InChI

InChI=1S/C37H73O9P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-43-33-36(34-45-47(41,42)44-32-35(39)31-38)46-37(40)29-27-25-23-21-19-16-14-12-10-8-6-4-2/h28,30,35-36,38-39H,3-27,29,31-34H2,1-2H3,(H,41,42)/b30-28-/t35-,36+/m0/s1

InChIKey

IZXVKNYZZOZRQF-CZTMWHFZSA-N

Compound name

[(2R)-1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-[(Z)-hexadec-1-enoxy]propan-2-yl] pentadecanoate

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]+	693.50648	270.4
[M+Na]+	715.48842	269.5
[M-H]-	691.49192	259.4
[M+NH4]+	710.53302	272.5
[M+K]+	731.46236	271.7
[M+H-H2O]+	675.49646	259.7
[M+HCOO]-	737.49740	269.8
[M+CH3COO]-	751.51305	272.8
[M+Na-2H]-	713.47387	248.2
[M]+	692.49865	268.0
[M]-	692.49975	268.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

693.50648

270.4

[M+Na]+

715.48842

269.5

[M-H]-

691.49192

259.4

[M+NH4]+

710.53302

272.5

[M+K]+

731.46236

271.7

[M+H-H2O]+

675.49646

259.7

[M+HCOO]-

737.49740

269.8

[M+CH3COO]-

751.51305

272.8

[M+Na-2H]-

713.47387

248.2

[M]+

692.49865

268.0

[M]-

692.49975

268.0

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

Pg(p-16:0/15:0)

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe