CID 134812519

Ohooa-pa

Structural Information

Molecular Formula
C29H51O10P
SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCC(/C=C/C=O)O
InChI
InChI=1S/C29H51O10P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-28(32)37-24-27(25-38-40(34,35)36)39-29(33)22-17-19-26(31)20-18-23-30/h9-10,18,20,23,26-27,31H,2-8,11-17,19,21-22,24-25H2,1H3,(H2,34,35,36)/b10-9-,20-18+/t26?,27-/m1/s1
InChIKey
OABJQCLPCSATJL-HPNFKZMPSA-N
Compound name
[(2R)-2-[(E)-5-hydroxy-8-oxooct-6-enoyl]oxy-3-phosphonooxypropyl] (Z)-octadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

590.32196 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 591.32924 240.4
[M+Na]+ 613.31118 242.7
[M-H]- 589.31468 237.0
[M+NH4]+ 608.35578 246.1
[M+K]+ 629.28512 240.7
[M+H-H2O]+ 573.31922 231.5
[M+HCOO]- 635.32016 243.0
[M+CH3COO]- 649.33581 250.3
[M+Na-2H]- 611.29663 223.4
[M]+ 590.32141 237.9
[M]- 590.32251 237.9
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.