Structure Database (LMSD)

Common Name
Hentriacontane
Systematic Name
Hentriacontane
Synonyms
LM ID
LMFA11000573
Formula
C31H64
Exact Mass
Calculate m/z
436.5008
Status
Curated
Show lipids differing only in stereochemistry/bond geometry
View NP-MRD ID(NMR) spectrum

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Hydrocarbons [FA11]

Biological Context

Hentriacontane is an alkane that has anti-inflammatory activity.1 It reduces LPS-induced TNF-α, IL-6, and IL-1β production in RAW 264.7 cells. Hentriacontane (2 and 5 mg/kg) reduces LPS-induced TNF-α, IL-6, and IL-1β production in whole blood and carrageenan-induced paw edema in mice.

This information has been provided by Cayman Chemical

References

1. Khajuria, V., Gupta, S., Sharma, N., et al. Anti-inflammatory potential of hentriacontane in LPS stimulated RAW 264.7 cells and mice model. Biomed. Pharmacother. 92, 175-186 (2017).

References

Comments
Pherobase Semiochemicals

String Representations

InChiKey (Click to copy)
IUJAMGNYPWYUPM-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C31H64/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-31H2,1-2H3
SMILES (Click to copy)
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC

Other Databases

KEGG ID
C08376
HMDB ID
HMDB0030092
CHEBI ID
5659
PubChem CID
12410
Cayman ID
29776

Calculated Physicochemical Properties

Heavy Atoms 31
Rings 0
Aromatic Rings 0
Rotatable Bonds 28
Van der Waals Molecular Volume 544.86
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 12.34
Molar Refractivity 145.24

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Updated at
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