CID 134812515

Ohoha-pa

Structural Information

Molecular Formula
C28H49O10P
SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCC(/C=C/C=O)O
InChI
InChI=1S/C28H49O10P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-27(31)36-23-26(24-37-39(33,34)35)38-28(32)21-20-25(30)18-17-22-29/h9-10,17-18,22,25-26,30H,2-8,11-16,19-21,23-24H2,1H3,(H2,33,34,35)/b10-9-,18-17+/t25?,26-/m1/s1
InChIKey
YPUMXOJPZSOXNO-OFUPOGHISA-N
Compound name
[(2R)-2-[(E)-4-hydroxy-7-oxohept-5-enoyl]oxy-3-phosphonooxypropyl] (Z)-octadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

576.30634 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 577.31362 236.9
[M+Na]+ 599.29556 239.4
[M-H]- 575.29906 233.9
[M+NH4]+ 594.34016 242.6
[M+K]+ 615.26950 237.0
[M+H-H2O]+ 559.30360 228.1
[M+HCOO]- 621.30454 239.9
[M+CH3COO]- 635.32019 247.5
[M+Na-2H]- 597.28101 220.3
[M]+ 576.30579 234.4
[M]- 576.30689 234.4
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.