CID 131801863

Dg(14:1n5/0:0/20:5n3)

Structural Information

Molecular Formula
C37H60O5
SMILES
CCCCCCCC/C=C\CCCC(=O)OC[C@H](COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)O
InChI
InChI=1S/C37H60O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-30-32-37(40)42-34-35(38)33-41-36(39)31-29-27-25-23-21-14-12-10-8-6-4-2/h5,7,11,13,16-17,19-20,23-26,35,38H,3-4,6,8-10,12,14-15,18,21-22,27-34H2,1-2H3/b7-5-,13-11-,17-16-,20-19-,25-23-,26-24-/t35-/m1/s1
InChIKey
YHVUZLLJEYOJSI-JQCLMQSSSA-N
Compound name
[(2R)-2-hydroxy-3-[(Z)-tetradec-5-enoyl]oxypropyl] (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

584.4441 Da
Monoisotopic Mass

10.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 585.45138 248.7
[M+Na]+ 607.43332 251.8
[M+NH4]+ 602.47792 249.2
[M+K]+ 623.40726 251.2
[M-H]- 583.43682 238.2
[M+Na-2H]- 605.41877 249.7
[M]+ 584.44355 246.4
[M]- 584.44465 246.4
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.