CID 129626686

2-[(11r)-hydroxy-(5z,8z,12e,14z)-eicosatetraenoyl]-sn-glycero-3-phosphoethanolamine

Structural Information

Molecular Formula
C25H44NO8P
SMILES
CCCCC/C=C\C=C\[C@@H](C/C=C\C/C=C\CCCC(=O)O[C@H](CO)COP(=O)(O)OCCN)O
InChI
InChI=1S/C25H44NO8P/c1-2-3-4-5-7-10-13-16-23(28)17-14-11-8-6-9-12-15-18-25(29)34-24(21-27)22-33-35(30,31)32-20-19-26/h6-7,9-11,13-14,16,23-24,27-28H,2-5,8,12,15,17-22,26H2,1H3,(H,30,31)/b9-6-,10-7-,14-11-,16-13+/t23-,24+/m0/s1
InChIKey
YYNINOSNLIMLAJ-XQSHPIDZSA-N
Compound name
[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-hydroxypropan-2-yl] (5Z,8Z,11R,12E,14Z)-11-hydroxyicosa-5,8,12,14-tetraenoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

517.28046 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 518.28774 218.7
[M+Na]+ 540.26968 224.5
[M+NH4]+ 535.31428 222.5
[M+K]+ 556.24362 221.8
[M-H]- 516.27318 215.9
[M+Na-2H]- 538.25513 224.1
[M]+ 517.27991 218.8
[M]- 517.28101 218.8
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.