CID 131758636

1-myristoleoyl-2-stearoyl-3-palmitoleoyl-glycerol

Structural Information

Molecular Formula
C51H94O6
SMILES
CCCCCCCCCCCCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCC/C=C\CCCC)COC(=O)CCCCCCC/C=C\CCCCCC
InChI
InChI=1S/C51H94O6/c1-4-7-10-13-16-19-22-24-25-27-30-33-36-39-42-45-51(54)57-48(46-55-49(52)43-40-37-34-31-28-21-18-15-12-9-6-3)47-56-50(53)44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h15,18,20,23,48H,4-14,16-17,19,21-22,24-47H2,1-3H3/b18-15-,23-20-/t48-/m0/s1
InChIKey
NINWUFGXSOEEJX-CMRLHVTFSA-N
Compound name
[(2S)-1-[(Z)-hexadec-9-enoyl]oxy-3-[(Z)-tetradec-9-enoyl]oxypropan-2-yl] octadecanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

802.705 Da
Monoisotopic Mass

20.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 803.71228 307.4
[M+Na]+ 825.69422 307.3
[M+NH4]+ 820.73882 309.6
[M+K]+ 841.66816 310.2
[M-H]- 801.69772 291.4
[M+Na-2H]- 823.67967 302.8
[M]+ 802.70445 304.0
[M]- 802.70555 304.0
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.