Structure Database (LMSD)

Common Name
13-Methylheptatriacontane
Systematic Name
13-Methylheptatriacontane
Synonyms
LM ID
LMFA11000262
Formula
C38H78
Exact Mass
Calculate m/z
534.610351
Status
Curated
Show lipids differing only in stereochemistry/bond geometry
View studies deposited in Metabolomics Workbench in which this molecule has been identified

Classification

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

References

Comments
Pherobase Semiochemicals

String Representations

InChiKey (Click to copy)
XBGZSXCXMVDZHG-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C38H78/c1-4-6-8-10-12-14-16-17-18-19-20-21-22-23-24-25-26-27-29-31-33-35-37-38(3)36-34-32-30-28-15-13-11-9-7-5-2/h38H,4-37H2,1-3H3
SMILES (Click to copy)
CCCCCCCCCCCCC(C)CCCCCCCCCCCCCCCCCCCCCCCC

Other Databases

CHEBI ID
165731
PubChem CID
521782

Calculated Physicochemical Properties

Heavy Atoms 38
Rings 0
Aromatic Rings 0
Rotatable Bonds 34
Van der Waals Molecular Volume 665.96
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 14.93
Molar Refractivity 177.49

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Updated at
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