Structure Database (LMSD)

Common Name
4,8,12-trimethyl-tridecanoic acid
Systematic Name
4,8,12-trimethyl-tridecanoic acid
Synonyms
  • Tridecanoic acid, 4,8,12-trimethyl-
  • 4,8,12-Trimethyltridecanoic acid
LM ID
LMFA01020249
Formula
C16H32O2
Exact Mass
Calculate m/z
256.24023
Sum Composition
FA 16:0
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Branched fatty acids [FA0102]

String Representations

InChiKey (Click to copy)
FUYCAQNCWDAOLQ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C16H32O2/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16(17)18/h13-15H,5-12H2,1-4H3,(H,17,18)
SMILES (Click to copy)
C(CCC(C)CCCC(C)CCCC(C)C)(=O)O

Other Databases

LIPIDAT ID
1734
HMDB ID
HMDB0002396
CHEBI ID
58966
PubChem CID
151503

Calculated Physicochemical Properties

Heavy Atoms 18
Rings 0
Aromatic Rings 0
Rotatable Bonds 11
Van der Waals Molecular Volume 300.30
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 5.12
Molar Refractivity 77.74

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Created at
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Updated at
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