Structure Database (LMSD)

O OH
Common Name
4Z,7Z-heneicosadienoic acid
Systematic Name
4Z,7Z-heneicosadienoic acid
Synonyms
  • delta7,12-21:2
LM ID
LMFA01031171
Formula
C21H38O2
Exact Mass
Calculate m/z
322.28718
Sum Composition
FA 21:2
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

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

String Representations

InChiKey (Click to copy)
HXJAKZFPMQDMKS-NFYLBXPESA-N
InChi (Click to copy)
InChI=1S/C21H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23/h14-15,17-18H,2-13,16,19-20H2,1H3,(H,22,23)/b15-14-,18-17-
SMILES (Click to copy)
C(CC/C=C\C/C=C\CCCCCCCCCCCCC)(=O)O

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Bathysiphon (#212484)
New and Uncommon Fatty Acids in Lipids of Deep-Sea Foraminifera.,
Lipids, 2017
Pubmed ID: 28210982

Other Databases

PubChem CID
171119145

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 0
Aromatic Rings 0
Rotatable Bonds 17
Van der Waals Molecular Volume 381.52
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 7.05
Molar Refractivity 100.84

Reactions

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Reactions graph legend

Admin

Created at
22nd Oct 2019
Updated at
25th Apr 2022