Structure Database (LMSD)

Common Name
Juniperic acid
Systematic Name
16-hydroxy-hexadecanoic acid
Synonyms
  • Juniperinic acid
LM ID
LMFA01050051
Formula
Exact Mass
Calculate m/z
272.235145
Sum Composition
Status
Active


Classification

String Representations

InChiKey (Click to copy)
UGAGPNKCDRTDHP-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C16H32O3/c17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16(18)19/h17H,1-15H2,(H,18,19)
SMILES (Click to copy)
C(CCCCCCCCCCCCCO)CC(=O)O

Other Databases

KEGG ID
HMDB ID
CHEBI ID
LIPIDBANK ID
DFA0317
PubChem CID
PlantFA ID
SwissLipids ID
Cayman ID
PDB ID

Calculated Physicochemical Properties

Heavy Atoms 19
Rings 0
Aromatic Rings 0
Rotatable Bonds 15
Van der Waals Molecular Volume 309.09
Topological Polar Surface Area 57.53
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 4.81
Molar Refractivity 79.85

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Created at
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Updated at
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