Structure Database (LMSD)

Common Name
(+)-28-methyl-triacontanoic acid
Systematic Name
(+)-28-methyl-triacontanoic acid
Synonyms
LM ID
LMFA01020028
Formula
C31H62O2
Exact Mass
Calculate m/z
466.47498
Sum Composition
FA 31:0
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)
OISCYPVRYCYZHI-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C31H62O2/c1-3-30(2)28-26-24-22-20-18-16-14-12-10-8-6-4-5-7-9-11-13-15-17-19-21-23-25-27-29-31(32)33/h30H,3-29H2,1-2H3,(H,32,33)
SMILES (Click to copy)
C(CCCCCCCCCCCCC(=O)O)CCCCCCCCCCCCCC(C)CC

Other Databases

CHEBI ID
84887
LIPIDBANK ID
DFA0253
PubChem CID
5282612

Calculated Physicochemical Properties

Heavy Atoms 33
Rings 0
Aromatic Rings 0
Rotatable Bonds 28
Van der Waals Molecular Volume 559.80
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 11.26
Molar Refractivity 147.13

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Created at
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Updated at
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