CID 137323968

1-(2-methoxy-7z,21z-octacosadienyl)-sn-glycero-3-phosphoserine

Structural Information

Molecular Formula
C35H68NO9P
SMILES
CCCCCC/C=C\CCCCCCCCCCCC/C=C\CCCCC(COC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)O)OC
InChI
InChI=1S/C35H68NO9P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-33(42-2)30-43-28-32(37)29-44-46(40,41)45-31-34(36)35(38)39/h8-9,22-23,32-34,37H,3-7,10-21,24-31,36H2,1-2H3,(H,38,39)(H,40,41)/b9-8-,23-22-/t32-,33?,34+/m1/s1
InChIKey
FWRAAUHWXYZOJX-TUGBNXOJSA-N
Compound name
(2S)-2-amino-3-[hydroxy-[(2R)-2-hydroxy-3-[(7Z,21Z)-2-methoxyoctacosa-7,21-dienoxy]propoxy]phosphoryl]oxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

677.4632 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 678.47048 260.6
[M+Na]+ 700.45242 262.0
[M-H]- 676.45592 254.2
[M+NH4]+ 695.49702 262.6
[M+K]+ 716.42636 262.2
[M+H-H2O]+ 660.46046 249.2
[M+HCOO]- 722.46140 256.4
[M+CH3COO]- 736.47705 272.4
[M+Na-2H]- 698.43787 240.1
[M]+ 677.46265 255.0
[M]- 677.46375 255.0
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.