Structure Database (LMSD)

O OH
Common Name
Mycosanoic acid (C24)
Systematic Name
2S,4S-dimethyl-docosanoic acid
Synonyms
LM ID
LMFA01020293
Formula
C24H48O2
Exact Mass
Calculate m/z
368.36543
Sum Composition
FA 24:0
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

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

String Representations

InChiKey (Click to copy)
QYNTVLCDAYKUMH-GOTSBHOMSA-N
InChi (Click to copy)
InChI=1S/C24H48O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(2)21-23(3)24(25)26/h22-23H,4-21H2,1-3H3,(H,25,26)/t22-,23-/m0/s1
SMILES (Click to copy)
C([C@@H](C)C[C@@H](C)CCCCCCCCCCCCCCCCCC)(=O)O

References

Comments
Mycobacterium tuberculosis fatty acids

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Mycobacterium tuberculosis (#1773)
Actinomycetia (#1760)
Lipidomic analyses of Mycobacterium tuberculosis based on accurate mass measurements and the novel "Mtb LipidDB".,
J Lipid Res, 2011
Pubmed ID: 21285232

Other Databases

CHEBI ID
180082
PubChem CID
52921726

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 0
Aromatic Rings 0
Rotatable Bonds 20
Van der Waals Molecular Volume 438.70
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 8.38
Molar Refractivity 114.74

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Created at
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Updated at
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