Structure Database (LMSD)

Common Name
Tetrahydropersin
Systematic Name
2-hydroxy-4-oxohenicosyl acetate
Synonyms
LM ID
LMFA05000700
Formula
C23H44O4
Exact Mass
Calculate m/z
384.32396
Sum Composition
FOH 23:2;O3
Status
Curated
Show lipids differing only in stereochemistry/bond geometry
View NP-MRD ID(NMR) spectrum

Classification

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

String Representations

InChiKey (Click to copy)
ZLVJJMWEIHRVLD-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C23H44O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(25)19-23(26)20-27-21(2)24/h23,26H,3-20H2,1-2H3
SMILES (Click to copy)
CCCCCCCCCCCCCCCCCC(=O)CC(O)COC(=O)C

Other Databases

HMDB ID
HMDB0036344
CHEBI ID
175912
PubChem CID
10905112

Calculated Physicochemical Properties

Heavy Atoms 27
Rings 0
Aromatic Rings 0
Rotatable Bonds 21
Van der Waals Molecular Volume 436.34
Topological Polar Surface Area 63.60
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 4
logP 6.70
Molar Refractivity 112.81

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Updated at
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