Structure Database (LMSD)

Common Name
5E,8E,11E-hexadecatrienoic acid
Systematic Name
5E,8E,11E-hexadecatrienoic acid
Synonyms
  • trans-5, trans-8, trans-11-hexadecatrienoic acid
  • C16:3n-5,8,11
LM ID
LMFA01030135
Formula
C16H26O2
Exact Mass
Calculate m/z
250.19328
Sum Composition
FA 16:3
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)
JGTFGPXKMOGVGT-XSHSMGBESA-N
InChi (Click to copy)
InChI=1S/C16H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h5-6,8-9,11-12H,2-4,7,10,13-15H2,1H3,(H,17,18)/b6-5+,9-8+,12-11+
SMILES (Click to copy)
C(/C=C/CCCC)/C=C/C/C=C/CCCC(=O)O

Other Databases

CHEBI ID
180362
LIPIDBANK ID
DFA0174
PubChem CID
5282810

Calculated Physicochemical Properties

Heavy Atoms 18
Rings 0
Aromatic Rings 0
Rotatable Bonds 11
Van der Waals Molecular Volume 292.38
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 4.88
Molar Refractivity 77.67

Admin

Created at
-
Updated at
25th Apr 2022