Structure Database (LMSD)

Common Name
9,12-Heptadecadienoic acid
Systematic Name
9,12-Heptadecadienoic acid
Synonyms
LM ID
LMFA01031075
Formula
C17H30O2
Exact Mass
Calculate m/z
266.22458
Sum Composition
FA 17:2
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Unsaturated fatty acids [FA0103]

String Representations

InChiKey (Click to copy)
LEIXEEFBKOMCEQ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C17H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h5-6,8-9H,2-4,7,10-16H2,1H3,(H,18,19)
SMILES (Click to copy)
C(CCCCCCCC=CCC=CCCCC)(=O)O

Other Databases

CHEBI ID
187425
PubChem CID
54029176
PlantFA ID
10773

Calculated Physicochemical Properties

Heavy Atoms 19
Rings 0
Aromatic Rings 0
Rotatable Bonds 13
Van der Waals Molecular Volume 312.32
Topological Polar Surface Area 37.3
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 5.49
Molar Refractivity 82.38

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Created at
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Updated at
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