Structure Database (LMSD)

Common Name
9,10-dimethyl-octacosanoic acid
Systematic Name
9,10-dimethyl-octacosanoic acid
Synonyms
LM ID
LMFA01020234
Formula
C30H60O2
Exact Mass
Calculate m/z
452.45933
Sum Composition
FA 30:0
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)
VUKQWNTVHBAURS-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C30H60O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22-25-28(2)29(3)26-23-20-18-21-24-27-30(31)32/h28-29H,4-27H2,1-3H3,(H,31,32)
SMILES (Click to copy)
C(CCCCCCCC(C)C(C)CCCCCCCCCCCCCCCCCC)(=O)O

Other Databases

LIPIDAT ID
3167
PubChem CID
5312326

Calculated Physicochemical Properties

Heavy Atoms 32
Rings 0
Aromatic Rings 0
Rotatable Bonds 26
Van der Waals Molecular Volume 542.50
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 10.73
Molar Refractivity 142.45

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Created at
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Updated at
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