CID 52928918

1-oleoyl-2-heptadecanoyl-sn-glycero-3-phosphate(2-)

Structural Information

Molecular Formula
C38H73O8P
SMILES
CCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)COP(=O)(O)O
InChI
InChI=1S/C38H73O8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-37(39)44-34-36(35-45-47(41,42)43)46-38(40)33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h17,19,36H,3-16,18,20-35H2,1-2H3,(H2,41,42,43)/b19-17-/t36-/m1/s1
InChIKey
PWVGZLUPKLWHNU-QJEXQQAGSA-N
Compound name
[(2R)-2-heptadecanoyloxy-3-phosphonooxypropyl] (Z)-octadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

688.50433 Da
Monoisotopic Mass

13.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 689.51161 270.7
[M+Na]+ 711.49355 271.5
[M+NH4]+ 706.53815 274.6
[M+K]+ 727.46749 272.0
[M-H]- 687.49705 259.1
[M+Na-2H]- 709.47900 269.8
[M]+ 688.50378 268.3
[M]- 688.50488 268.3
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.