CID 137323964

1-(2-methoxy-20z-heptacosenyl)-sn-glycero-3-phosphoserine

Structural Information

Molecular Formula
C34H68NO9P
SMILES
CCCCCC/C=C\CCCCCCCCCCCCCCCCCC(COC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)O)OC
InChI
InChI=1S/C34H68NO9P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-32(41-2)29-42-27-31(36)28-43-45(39,40)44-30-33(35)34(37)38/h8-9,31-33,36H,3-7,10-30,35H2,1-2H3,(H,37,38)(H,39,40)/b9-8-/t31-,32?,33+/m1/s1
InChIKey
ZVCKIOGMZVVENI-WOFJLRNASA-N
Compound name
(2S)-2-amino-3-[hydroxy-[(2R)-2-hydroxy-3-[(Z)-2-methoxyheptacos-20-enoxy]propoxy]phosphoryl]oxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

665.4632 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 666.47048 259.7
[M+Na]+ 688.45242 260.6
[M-H]- 664.45592 252.9
[M+NH4]+ 683.49702 261.4
[M+K]+ 704.42636 260.9
[M+H-H2O]+ 648.46046 248.4
[M+HCOO]- 710.46140 255.0
[M+CH3COO]- 724.47705 270.9
[M+Na-2H]- 686.43787 239.1
[M]+ 665.46265 254.2
[M]- 665.46375 254.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.