Structure Database (LMSD)

Common Name
12Z-eicosenoic acid
Systematic Name
12Z-eicosenoic acid
Synonyms
LM ID
LMFA01031296
Formula
Exact Mass
Calculate m/z
310.28718
Sum Composition
Status
Active

Classification

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)
NCSORJRFQDBVHT-HJWRWDBZSA-N
InChi (Click to copy)
InChI=1S/C20H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h8-9H,2-7,10-19H2,1H3,(H,21,22)/b9-8-
SMILES (Click to copy)
C(CCCCCCCCCC/C=C\CCCCCCC)(=O)O

Other Databases

PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 22
Rings
Aromatic Rings
Rotatable Bonds 17
Van der Waals Molecular Volume 366.86
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 6.89
Molar Refractivity 96.32

Admin

Created at
14th Jul 2023
Updated at
14th Jul 2023