Structure Database (LMSD)

OH O
Common Name
Tuberculostearic acid
Systematic Name
10R-methyl-octadecanoic acid
Synonyms
  • 10-methylstearic acid
  • L-(+)-Tuberculostearic acid
LM ID
LMFA01020015
Formula
Exact Mass
Calculate m/z
298.28718
Sum Composition
Status
Active

Main

Classification

String Representations

InChiKey (Click to copy)
BEOUGZFCUMNGOU-GOSISDBHSA-N
InChi (Click to copy)
InChI=1S/C19H38O2/c1-3-4-5-6-9-12-15-18(2)16-13-10-7-8-11-14-17-19(20)21/h18H,3-17H2,1-2H3,(H,20,21)/t18-/m1/s1
SMILES (Click to copy)
[C@@H](C)(CCCCCCCC)CCCCCCCCC(=O)O

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Mycobacterium tuberculosis (#1773)
Actinomycetia (#1760)
The chemistry of the lipoids of tubercle bacilli VI. Concerning tuberculostearic acid and phthioic acid from the acetone-soluble fat,
J Biol Chem, 1929

Other Databases

Wikipedia
LIPIDBANK ID
DFA0240
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 0
Aromatic Rings 0
Rotatable Bonds 16
Van der Waals Molecular Volume 352.20
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 6.58
Molar Refractivity 91.73

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Updated at
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