Structure Database (LMSD)

Common Name
(E,E)-7-hydroxy-6-methylhepta-3,5-dienal
Systematic Name
(3E,5E)-7-hydroxy-6-methylhepta-3,5-dienal
Synonyms
  • (3E,5E)-7-hydroxy-6-methylhepta-3,5-dienal
  • 7-hydroxy-6-methylhepta-3,5-dienal
LM ID
LMFA05000563
Formula
C8H12O2
Exact Mass
Calculate m/z
140.08373
Sum Composition
FOH 8:3;O
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty alcohols [FA05]

String Representations

InChiKey (Click to copy)
ARBHCEGTLUXZRX-YNRRLODASA-N
InChi (Click to copy)
InChI=1S/C8H12O2/c1-8(7-10)5-3-2-4-6-9/h2-3,5-6,10H,4,7H2,1H3/b3-2+,8-5+
SMILES (Click to copy)
C(=O)C/C=C/C=C(\C)/CO

Other Databases

KEGG ID
C18011
CHEBI ID
51922
PubChem CID
25164042

Calculated Physicochemical Properties

Heavy Atoms 10
Rings 0
Aromatic Rings 0
Rotatable Bonds 4
Van der Waals Molecular Volume 156.62
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 1.35
Molar Refractivity 41.15

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Created at
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Updated at
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