Structure Database (LMSD)

Common Name
2,6,10,15-tetramethyl-heptadecane
Systematic Name
2,6,10,15-tetramethyl-heptadecane
Synonyms
LM ID
LMFA11000601
Formula
C21H44
Exact Mass
Calculate m/z
296.3443
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

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

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Nostoc sp. (#1180)
Cyanophyceae (#3028117)
Separation and identification of hydrocarbons and other volatile compounds from cultured blue-green alga Nostoc sp. by gas chromatography-mass spectrometry using serially coupled capillary columns with consecutive nonpolar and semipolar stationary phases.,
J Chromatogr A, 1999
Pubmed ID: 10596980

String Representations

InChiKey (Click to copy)
ZZEQNXPBKOFTBG-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C21H44/c1-7-19(4)13-8-9-14-20(5)16-11-17-21(6)15-10-12-18(2)3/h18-21H,7-17H2,1-6H3
SMILES (Click to copy)
C(C(C)CCCC(C)C)CCC(C)CCCCC(C)CC

Other Databases

HMDB ID
HMDB0062787
CHEBI ID
84230
PubChem CID
41209

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 0
Aromatic Rings 0
Rotatable Bonds 14
Van der Waals Molecular Volume 371.86
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 7.86
Molar Refractivity 98.79

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Updated at
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