Structure Database (LMSD)

O OH
Common Name
Lycopodic acid
Systematic Name
11E-hexadecenoic acid
Synonyms
  • C16:1n-5
  • Lycopodiumoleic acid
LM ID
LMFA01030261
Formula
Exact Mass
Calculate m/z
254.22458
Sum Composition
Status
Active

Main

Classification

String Representations

InChiKey (Click to copy)
JGMYDQCXGIMHLL-AATRIKPKSA-N
InChi (Click to copy)
InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h5-6H,2-4,7-15H2,1H3,(H,17,18)/b6-5+
SMILES (Click to copy)
C(CCCCCCCCC/C=C/CCCC)(=O)O

References

Other Databases

LIPIDAT ID
4380
HMDB ID
PubChem CID
PlantFA ID
Cayman ID

Calculated Physicochemical Properties

Heavy Atoms 18
Rings 0
Aromatic Rings 0
Rotatable Bonds 13
Van der Waals Molecular Volume 297.66
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 5.33
Molar Refractivity 77.85

Reactions

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Reactions graph legend

Admin

Created at
-
Updated at
25th Apr 2022