Structure Database (LMSD)
Common Name
Mycocerosic acid (C32)
Systematic Name
2R,4R,6R,8R-tetramethyl-octacosanoic acid
Synonyms
3D model of Mycocerosic acid (C32)
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
References
Comments
Mycobacterium tuberculosis fatty acids
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Mycobacterium tuberculosis
(#1773)
Actinomycetes
(#1760)
Lipidomic analyses of Mycobacterium tuberculosis based on accurate mass measurements and the novel "Mtb LipidDB".,
J Lipid Res, 2011
J Lipid Res, 2011
Pubmed ID:
21285232
DOI:
10.1194/jlr.M010363
String Representations
InChiKey (Click to copy)
QFTGBKLLECAONU-OMRVPHBLSA-N
InChi (Click to copy)
InChI=1S/C32H64O2/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-28(2)25-29(3)26-30(4)27-31(5)32(33)34/h28-31H,6-27H2,1-5H3,(H,33,34)/t28-,29-,30-,31-/m1/s1
SMILES (Click to copy)
C([C@H](C)C[C@H](C)C[C@H](C)C[C@H](C)CCCCCCCCCCCCCCCCCCCC)(=O)O
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
34
Rings
0
Aromatic Rings
0
Rotatable Bonds
26
Van der Waals Molecular Volume
577.10
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
11.22
Molar Refractivity
151.54
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Updated at
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