Structure Database (LMSD)

Common Name
heptadecanal
Systematic Name
heptadecanal
Synonyms
LM ID
LMFA06000097
Formula
C17H34O
Exact Mass
Calculate m/z
254.260965
Sum Composition
FAL 17:0
Status
Active
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)
PIYDVAYKYBWPPY-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C17H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18/h17H,2-16H2,1H3
SMILES (Click to copy)
C(CCCCCCC)CCCCCCCCC([H])=O

Other Databases

HMDB ID
HMDB0031039
CHEBI ID
138631
PubChem CID
71552

Calculated Physicochemical Properties

Heavy Atoms 18
Rings 0
Aromatic Rings 0
Rotatable Bonds 15
Van der Waals Molecular Volume 308.81
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 6.06
Molar Refractivity 80.99

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Created at
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Updated at
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