Structure Database (LMSD)

Common Name
8E-Heptadecenedioic acid
Systematic Name
8E-Heptadecenedioic acid
Synonyms
LM ID
LMFA01170053
Formula
C17H30O4
Exact Mass
Calculate m/z
298.21441
Sum Composition
FA 17:2;O2
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Dicarboxylic acids [FA0117]
Unsaturated fatty acids [FA0103]

String Representations

InChiKey (Click to copy)
VDTSYDDUGXHLDV-OWOJBTEDSA-N
InChi (Click to copy)
InChI=1S/C17H30O4/c18-16(19)14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17(20)21/h1-2H,3-15H2,(H,18,19)(H,20,21)/b2-1+
SMILES (Click to copy)
C(CCCCCC/C=C/CCCCCCCC(=O)O)(=O)O

Other Databases

LIPIDAT ID
4162
CHEBI ID
165383
PubChem CID
9543673

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 0
Aromatic Rings 0
Rotatable Bonds 15
Van der Waals Molecular Volume 329.90
Topological Polar Surface Area 74.60
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 4
logP 4.78
Molar Refractivity 84.43

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Created at
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Updated at
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