CID 137323962

1-(2-methoxy-18z-pentacosenyl)-sn-glycero-3-phosphoserine

Structural Information

Molecular Formula
C32H64NO9P
SMILES
CCCCCC/C=C\CCCCCCCCCCCCCCCC(COC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)O)OC
InChI
InChI=1S/C32H64NO9P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-30(39-2)27-40-25-29(34)26-41-43(37,38)42-28-31(33)32(35)36/h8-9,29-31,34H,3-7,10-28,33H2,1-2H3,(H,35,36)(H,37,38)/b9-8-/t29-,30?,31+/m1/s1
InChIKey
SUBIKHBKIJMXBC-QCVFKNFASA-N
Compound name
(2S)-2-amino-3-[hydroxy-[(2R)-2-hydroxy-3-[(Z)-2-methoxypentacos-18-enoxy]propoxy]phosphoryl]oxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

637.4319 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 638.43918 253.0
[M+Na]+ 660.42112 254.3
[M-H]- 636.42462 247.0
[M+NH4]+ 655.46572 254.8
[M+K]+ 676.39506 253.8
[M+H-H2O]+ 620.42916 241.9
[M+HCOO]- 682.43010 249.1
[M+CH3COO]- 696.44575 265.5
[M+Na-2H]- 658.40657 233.2
[M]+ 637.43135 247.4
[M]- 637.43245 247.4
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.