PubChemLite - 1-palmitoyl-3-oleoyl-sn-glycerol (C37H70O5)

Structural Information

Molecular Formula

SMILES

CCCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O

InChI

InChI=1S/C37H70O5/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(40)42-34-35(38)33-41-36(39)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h17-18,35,38H,3-16,19-34H2,1-2H3/b18-17-/t35-/m1/s1

InChIKey

NBBXPULYBQASLG-QEJMHMKOSA-N

Compound name

[(2R)-3-hexadecanoyloxy-2-hydroxypropyl] (Z)-octadec-9-enoate

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]+	595.52962	260.5
[M+Na]+	617.51156	261.3
[M+NH4]+	612.55616	261.2
[M+K]+	633.48550	261.2
[M-H]-	593.51506	246.1
[M+Na-2H]-	615.49701	259.3
[M]+	594.52179	256.8
[M]-	594.52289	256.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

595.52962

260.5

[M+Na]+

617.51156

261.3

[M+NH4]+

612.55616

261.2

[M+K]+

633.48550

261.2

[M-H]-

593.51506

246.1

[M+Na-2H]-

615.49701

259.3

[M]+

594.52179

256.8

[M]-

594.52289

256.8

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

1-palmitoyl-3-oleoyl-sn-glycerol

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe