Structure Database (LMSD)

Common Name
Muricatacin
Systematic Name
5-(1-hydroxytridecyl)oxolan-2-one
Synonyms
LM ID
LMFA05000682
Formula
C17H32O3
Exact Mass
Calculate m/z
284.235145
Sum Composition
FOH 17:2;O2
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty alcohols [FA05]

String Representations

InChiKey (Click to copy)
VFLQJBVJJLGBKM-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C17H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-15(18)16-13-14-17(19)20-16/h15-16,18H,2-14H2,1H3
SMILES (Click to copy)
CCCCCCCCCCCCC(C1OC(CC1)=O)O

Other Databases

HMDB ID
HMDB0038685
PubChem CID
10016749

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 1
Aromatic Rings 0
Rotatable Bonds 12
Van der Waals Molecular Volume 314.03
Topological Polar Surface Area 48.60
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 3
logP 4.94
Molar Refractivity 82.61

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Created at
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Updated at
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