Structure database (LMSD)

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LM IDLMFA06000111
Common Name8Z,11Z,14Z-heptadecatrienal
Systematic Name8Z,11Z,14Z-heptadecatrienal
Synonyms-
Exact Mass
248.2140 (neutral)    Calculate m/z:
FormulaC17H28O
CategoryFatty Acyls [FA]
Main ClassFatty aldehydes [FA06]
Sub Class-
AbbrevFAL 17:3
PubChem CID6430107
KEGG IDC16343
CHEBI ID76151
InChIKeyNIPNNUONNZABRE-PDBXOOCHSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C17H28O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18/h3-4,6-7,9-10,17H,2,5,8,11-16H2,1H3/b4-3-,7-6-,10-9-
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SMILES
C(CCCCCC/C=C\C/C=C\C/C=C\CC)=O
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms18Rings0Aromatic Rings0Rotatable Bonds12
 van der Waals
Molecular Volume
300.89Topological Polar
Surface Area
17.07Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
1
 logP5.38Molar
Refractivity
80.71