CID 134812484

Ohooa-pg

Structural Information

Molecular Formula
C32H57O12P
SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](CO)O)OC(=O)CCCC(/C=C/C=O)O
InChI
InChI=1S/C32H57O12P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-31(37)41-26-30(27-43-45(39,40)42-25-29(36)24-34)44-32(38)22-17-19-28(35)20-18-23-33/h9-10,18,20,23,28-30,34-36H,2-8,11-17,19,21-22,24-27H2,1H3,(H,39,40)/b10-9-,20-18+/t28?,29-,30+/m0/s1
InChIKey
NDWOMXPOTIYAAS-DYNLNKTBSA-N
Compound name
[(2R)-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-2-[(E)-5-hydroxy-8-oxooct-6-enoyl]oxypropyl] (Z)-octadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

664.35876 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 665.36604 258.1
[M+Na]+ 687.34798 258.2
[M-H]- 663.35148 255.7
[M+NH4]+ 682.39258 264.3
[M+K]+ 703.32192 257.8
[M+H-H2O]+ 647.35602 248.3
[M+HCOO]- 709.35696 255.1
[M+CH3COO]- 723.37261 261.1
[M+Na-2H]- 685.33343 238.6
[M]+ 664.35821 256.2
[M]- 664.35931 256.2
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.