PubChemLite - L-phosphatidylserine (C32H62NO12P)

Structural Information

Molecular Formula

SMILES

COCCCCCCCCCCCC(=O)OC[C@@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CCCCCCCCCCCOC

InChI

InChI=1S/C32H62NO12P/c1-40-23-19-15-11-7-3-5-9-13-17-21-30(34)42-25-28(26-43-46(38,39)44-27-29(33)32(36)37)45-31(35)22-18-14-10-6-4-8-12-16-20-24-41-2/h28-29H,3-27,33H2,1-2H3,(H,36,37)(H,38,39)/t28-,29-/m0/s1

InChIKey

QHOHQKCFNUECQN-VMPREFPWSA-N

Compound name

(2S)-2-amino-3-[[(2S)-2,3-bis(12-methoxydodecanoyloxy)propoxy]-hydroxyphosphoryl]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]+	684.40822	265.8
[M+Na]+	706.39016	267.6
[M-H]-	682.39366	264.3
[M+NH4]+	701.43476	273.9
[M+K]+	722.36410	266.7
[M+H-H2O]+	666.39820	256.8
[M+HCOO]-	728.39914	261.6
[M+CH3COO]-	742.41479	272.5
[M+Na-2H]-	704.37561	246.2
[M]+	683.40039	263.6
[M]-	683.40149	263.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

684.40822

265.8

[M+Na]+

706.39016

267.6

[M-H]-

682.39366

264.3

[M+NH4]+

701.43476

273.9

[M+K]+

722.36410

266.7

[M+H-H2O]+

666.39820

256.8

[M+HCOO]-

728.39914

261.6

[M+CH3COO]-

742.41479

272.5

[M+Na-2H]-

704.37561

246.2

[M]+

683.40039

263.6

[M]-

683.40149

263.6

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

L-phosphatidylserine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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