Structure Database (LMSD)

Common Name
14-Methylheptadecanoic acid
Systematic Name
14-Methylheptadecanoic acid
Synonyms
LM ID
LMFA01020292
Formula
C18H36O2
Exact Mass
Calculate m/z
284.271531
Sum Composition
FA 18:0
Status
Curated
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]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Bacillus subtilis (#1423)
Bacilli (#91061)
Incorporation of branched-chain C6-fatty acid isomers into the related long-chain fatty acids by growing cells of Bacillus subtilis.,
Biochemistry, 1971
Pubmed ID: 4992629

String Representations

InChiKey (Click to copy)
FSFWPQJOSZVBMA-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H36O2/c1-3-14-17(2)15-12-10-8-6-4-5-7-9-11-13-16-18(19)20/h17H,3-16H2,1-2H3,(H,19,20)
SMILES (Click to copy)
C(CCCCCCCCCCCCC(C)CCC)(=O)O

Other Databases

CHEBI ID
196222
PubChem CID
23062203

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 0
Aromatic Rings 0
Rotatable Bonds 15
Van der Waals Molecular Volume 334.90
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 6.19
Molar Refractivity 87.11

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Updated at
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