PubChemLite - 1-(9z-octadecenoyl)-sn-glycero-3-phosphoserine (C24H46NO9P)

Structural Information

Molecular Formula

SMILES

CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)O

InChI

InChI=1S/C24H46NO9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(27)32-18-21(26)19-33-35(30,31)34-20-22(25)24(28)29/h9-10,21-22,26H,2-8,11-20,25H2,1H3,(H,28,29)(H,30,31)/b10-9-/t21-,22+/m1/s1

InChIKey

JZWNYZVVZXZRRH-YFKVPUFHSA-N

Compound name

(2S)-2-amino-3-[hydroxy-[(2R)-2-hydroxy-3-[(Z)-octadec-9-enoyl]oxypropoxy]phosphoryl]oxypropanoic acid

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]+	524.29828	223.2
[M+Na]+	546.28022	226.6
[M-H]-	522.28372	221.1
[M+NH4]+	541.32482	225.5
[M+K]+	562.25416	222.2
[M+H-H2O]+	506.28826	213.1
[M+HCOO]-	568.28920	223.5
[M+CH3COO]-	582.30485	242.0
[M+Na-2H]-	544.26567	207.4
[M]+	523.29045	217.1
[M]-	523.29155	217.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

524.29828

223.2

[M+Na]+

546.28022

226.6

[M-H]-

522.28372

221.1

[M+NH4]+

541.32482

225.5

[M+K]+

562.25416

222.2

[M+H-H2O]+

506.28826

213.1

[M+HCOO]-

568.28920

223.5

[M+CH3COO]-

582.30485

242.0

[M+Na-2H]-

544.26567

207.4

[M]+

523.29045

217.1

[M]-

523.29155

217.1

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

1-(9z-octadecenoyl)-sn-glycero-3-phosphoserine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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