CID 53479573

Chebi:185345

Structural Information

Molecular Formula
C37H70NO7P
SMILES
CCCCCC/C=C\CCCCCCCC/C=C\O[C@H](COC(=O)CCCCCCC/C=C\CCCC)COP(=O)(O)OCCN
InChI
InChI=1S/C37H70NO7P/c1-3-5-7-9-11-13-15-16-17-18-19-21-23-25-27-29-32-42-36(35-45-46(40,41)44-33-31-38)34-43-37(39)30-28-26-24-22-20-14-12-10-8-6-4-2/h10,12-13,15,29,32,36H,3-9,11,14,16-28,30-31,33-35,38H2,1-2H3,(H,40,41)/b12-10-,15-13-,32-29-/t36-/m1/s1
InChIKey
XAXUTKKCQMYMCO-WTTKYJQQSA-N
Compound name
[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[(1Z,11Z)-octadeca-1,11-dienoxy]propyl] (Z)-tetradec-9-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

671.489 Da
Monoisotopic Mass

8.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 672.49628 263.7
[M+Na]+ 694.47822 268.0
[M+NH4]+ 689.52282 267.3
[M+K]+ 710.45216 267.3
[M-H]- 670.48172 253.9
[M+Na-2H]- 692.46367 264.2
[M]+ 671.48845 262.3
[M]- 671.48955 262.3
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.