Structure Database (LMSD)

Common Name
cis-9,10-methylene-hexadecanoic acid
Systematic Name
9R,10S-methylene-hexadecanoic acid
Synonyms
LM ID
LMFA01140026
Formula
C17H32O2
Exact Mass
Calculate m/z
268.24023
Sum Composition
FA 17:1
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]
Carbocyclic fatty acids [FA0114]
Branched fatty acids [FA0102]

String Representations

InChiKey (Click to copy)
MUZYOAHCGSIXJH-JKSUJKDBSA-N
InChi (Click to copy)
InChI=1S/C17H32O2/c1-2-3-4-8-11-15-14-16(15)12-9-6-5-7-10-13-17(18)19/h15-16H,2-14H2,1H3,(H,18,19)/t15-,16+/m0/s1
SMILES (Click to copy)
C(CCCCCCC[C@]1([H])C[C@]1([H])CCCCCC)(=O)O

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Escherichia coli B (#37762)
Gammaproteobacteria (#1236)
Configurational analysis of cyclopropyl fatty acids isolated from Escherichia coli.,
Org Lett, 2006
Pubmed ID: 16381572

Other Databases

CHEBI ID
140685
PubChem CID
14345320

Calculated Physicochemical Properties

Heavy Atoms 19
Rings 1
Aromatic Rings 0
Rotatable Bonds 13
Van der Waals Molecular Volume 305.24
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 5.41
Molar Refractivity 80.31

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Created at
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Updated at
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