CID 86289377

2-arachidonoyl-sn-glycero-3-phospho-l-serine(1-)

Structural Information

Molecular Formula
C26H44NO9P
SMILES
CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@H](CO)COP(=O)(O)OC[C@@H](C(=O)O)N
InChI
InChI=1S/C26H44NO9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(29)36-23(20-28)21-34-37(32,33)35-22-24(27)26(30)31/h6-7,9-10,12-13,15-16,23-24,28H,2-5,8,11,14,17-22,27H2,1H3,(H,30,31)(H,32,33)/b7-6-,10-9-,13-12-,16-15-/t23-,24+/m1/s1
InChIKey
ITIDLBCKKSNAPK-RRJHOXOUSA-N
Compound name
(2S)-2-amino-3-[hydroxy-[(2R)-3-hydroxy-2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]oxypropoxy]phosphoryl]oxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

545.2754 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 546.28268 223.7
[M+Na]+ 568.26462 228.6
[M-H]- 544.26812 223.4
[M+NH4]+ 563.30922 227.1
[M+K]+ 584.23856 223.7
[M+H-H2O]+ 528.27266 213.6
[M+HCOO]- 590.27360 225.8
[M+CH3COO]- 604.28925 243.6
[M+Na-2H]- 566.25007 208.7
[M]+ 545.27485 217.1
[M]- 545.27595 217.1
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.