Structure Database (LMSD)

Common Name
13Z-heneicosenoic acid
Systematic Name
13Z-heneicosenoic acid
Synonyms
LM ID
LMFA01031300
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
Homo sapiens (#9606)
Mammalia (#40674)
Ozone-enabled fatty acid discovery reveals unexpected diversity in the human lipidome.,
Nat Commun, 2023
Pubmed ID: 37402773

String Representations

InChiKey (Click to copy)
BGFFHXSFFMDHSZ-HJWRWDBZSA-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/h8-9H,2-7,10-20H2,1H3,(H,22,23)/b9-8-
SMILES (Click to copy)
C(CCCCCCCCCCC/C=C\CCCCCCC)(=O)O

Other Databases

PubChem CID
11823531

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
14th Jul 2023
Updated at
14th Jul 2023