Structure Database (LMSD)

Common Name
36:5(18Z,21Z,24Z,27Z,30Z)
Systematic Name
18Z,21Z,24Z,27Z,30Z-hexatriacontapentaenoic acid
Synonyms
  • 36:5(w6)
LM ID
LMFA01030850
Formula
C36H62O2
Exact Mass
Calculate m/z
526.47498
Sum Composition
FA 36:5
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)
Long-chain and very long-chain polyunsaturated fatty acids in ocular aging and age-related macular degeneration,
J. Lipid Res, 2010
Pubmed ID: 20688753

String Representations

InChiKey (Click to copy)
HWGJWXQWJQVPRP-WMPRHZDHSA-N
InChi (Click to copy)
InChI=1S/C36H62O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36(37)38/h6-7,9-10,12-13,15-16,18-19H,2-5,8,11,14,17,20-35H2,1H3,(H,37,38)/b7-6-,10-9-,13-12-,16-15-,19-18-
SMILES (Click to copy)
C(CCCCCCCCCCCCCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC)(=O)O

Other Databases

CHEBI ID
87612
PubChem CID
52921825
SwissLipids ID
SLM:000485644

Calculated Physicochemical Properties

Heavy Atoms 38
Rings 0
Aromatic Rings 0
Rotatable Bonds 29
Van der Waals Molecular Volume 633.10
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 12.23
Molar Refractivity 169.82

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Created at
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Updated at
25th Apr 2022