Structure Database (LMSD)

Common Name
21:1(7Z)
Systematic Name
7Z-heneicosenoic acid
Synonyms
  • C21:1n-14
LM ID
LMFA01030909
Formula
C21H40O2
Exact Mass
Calculate m/z
324.30283
Sum Composition
FA 21:1
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 are shown if the E.C. number of the enzyme catalysing it is annotated in the UniProt database for a species belonging to the selected taxonomic class.
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Reactions graph legend

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Siphonaria denticulata (#190183)
Gastropoda (#6448)
Identification and total synthesis of novel fatty acids from the Siphonarid limpet Siphonaria denticulata.,
J Nat Prod, 2001
Pubmed ID: 11720525

String Representations

InChiKey (Click to copy)
OCABBSNESRDYKI-PFONDFGASA-N
InChi (Click to copy)
InChI=1S/C21H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23/h14-15H,2-13,16-20H2,1H3,(H,22,23)/b15-14-
SMILES (Click to copy)
C(CCCCC/C=C\CCCCCCCCCCCCC)(=O)O

Other Databases

CHEBI ID
197319
PubChem CID
52921861

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 0
Aromatic Rings 0
Rotatable Bonds 18
Van der Waals Molecular Volume 384.16
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 7.28
Molar Refractivity 100.94

Admin

Created at
-
Updated at
25th Apr 2022