CID 137323965

1-(2-methoxy-21z-octacosenyl)-sn-glycero-3-phosphoserine

Structural Information

Molecular Formula
C35H70NO9P
SMILES
CCCCCC/C=C\CCCCCCCCCCCCCCCCCCC(COC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)O)OC
InChI
InChI=1S/C35H70NO9P/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/h8-9,32-34,37H,3-7,10-31,36H2,1-2H3,(H,38,39)(H,40,41)/b9-8-/t32-,33?,34+/m1/s1
InChIKey
GOAOWDJRMQOLHJ-VUSWZEKASA-N
Compound name
(2S)-2-amino-3-[hydroxy-[(2R)-2-hydroxy-3-[(Z)-2-methoxyoctacos-21-enoxy]propoxy]phosphoryl]oxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

679.4788 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 680.48608 263.0
[M+Na]+ 702.46802 263.8
[M-H]- 678.47152 255.8
[M+NH4]+ 697.51262 264.7
[M+K]+ 718.44196 264.4
[M+H-H2O]+ 662.47606 251.6
[M+HCOO]- 724.47700 257.9
[M+CH3COO]- 738.49265 273.6
[M+Na-2H]- 700.45347 241.9
[M]+ 679.47825 257.6
[M]- 679.47935 257.6
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.