Structure Database (LMSD)

Common Name
9-tetradecenal
Systematic Name
9-tetradecenal
Synonyms
LM ID
LMFA06000081
Formula
C14H26O
Exact Mass
Calculate m/z
210.198365
Sum Composition
FAL 14:1
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty aldehydes [FA06]

String Representations

InChiKey (Click to copy)
ANJAOCICJSRZSR-AATRIKPKSA-N
InChi (Click to copy)
InChI=1S/C14H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h5-6,14H,2-4,7-13H2,1H3/b6-5+
SMILES (Click to copy)
C(/CCCC)=C\CCCCCCCC([H])=O

Other Databases

HMDB ID
HMDB0032526
CHEBI ID
179480
PubChem CID
5283368

Calculated Physicochemical Properties

Heavy Atoms 15
Rings 0
Aromatic Rings 0
Rotatable Bonds 11
Van der Waals Molecular Volume 254.27
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 4.66
Molar Refractivity 67.05

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Created at
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Updated at
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