Structure Database (LMSD)

Common Name
Geranial
Systematic Name
Geranial
Synonyms
LM ID
LMPR0102010003
Status
Active
Exact Mass
Calculate m/z
152.120115
Formula
C10H16O
Show lipids differing only in stereochemistry/bond geometry
View MoNA MS spectra
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MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

Category
Main Class
Sub Class
Level 4 Class
Prenol Lipids [PR]
Isoprenoids [PR01]
C10 isoprenoids (monoterpenes) [PR0102]
Acyclic monoterpenoids [PR010201]

String Representations

InChiKey (Click to copy)
WTEVQBCEXWBHNA-JXMROGBWSA-N
InChi (Click to copy)
InChI=1S/C10H16O/c1-9(2)5-4-6-10(3)7-8-11/h5,7-8H,4,6H2,1-3H3/b10-7+
SMILES (Click to copy)
C(/C)(=C/C=O)\CC/C=C(\C)/C

References

Other Databases

Wikipedia
Geranial
KEGG ID
C01499
HMDB ID
HMDB0035078
CHEBI ID
16980
PubChem CID
638011

Calculated Physicochemical Properties

Heavy Atoms 11
Rings 0
Aromatic Rings 0
Rotatable Bonds 4
Van der Waals Molecular Volume 182.43
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 2.88
Molar Refractivity 48.49

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Updated at
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