Structure Database (LMSD)

Common Name
4Z,7Z-Hexadecadienoic acid
Systematic Name
4Z,7Z-Hexadecadienoic acid
Synonyms
  • 4,7-Hexadecadienoic acid, (Z,Z)-
  • Z,Z-4,7-Hexadecadienoic acid
  • Hexadeca-4c,7c-dienoic acid
LM ID
LMFA01031050
Formula
C16H28O2
Exact Mass
Calculate m/z
252.20893
Sum Composition
FA 16:2
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]

Reactions

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Reactions graph legend

String Representations

InChiKey (Click to copy)
CQHASUVQRDMWKB-UTJQPWESSA-N
InChi (Click to copy)
InChI=1S/C16H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h9-10,12-13H,2-8,11,14-15H2,1H3,(H,17,18)/b10-9-,13-12-
SMILES (Click to copy)
C(CC/C=C\C/C=C\CCCCCCCC)(=O)O

Other Databases

PubChem CID
92034252
PlantFA ID
10522

Calculated Physicochemical Properties

Heavy Atoms 18
Rings 0
Aromatic Rings 0
Rotatable Bonds 12
Van der Waals Molecular Volume 295.02
Topological Polar Surface Area 37.3
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 5.1
Molar Refractivity 77.76

Admin

Created at
-
Updated at
25th Apr 2022