Structure Database (LMSD)

Common Name
(S)-nonacosan-10-ol
Systematic Name
nonacosan-10S-ol
Synonyms
LM ID
LMFA05000088
Formula
C29H60O
Exact Mass
Calculate m/z
424.464415
Sum Composition
FOH 29:0
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)
CPGCVOVWHCWVTP-LJAQVGFWSA-N
InChi (Click to copy)
InChI=1S/C29H60O/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-22-24-26-28-29(30)27-25-23-21-10-8-6-4-2/h29-30H,3-28H2,1-2H3/t29-/m0/s1
SMILES (Click to copy)
[C@H](O)(CCCCCCCCC)CCCCCCCCCCCCCCCCCCC

Other Databases

KEGG ID
C08385
CHEBI ID
32948
PubChem CID
16057860

Calculated Physicochemical Properties

Heavy Atoms 30
Rings 0
Aromatic Rings 0
Rotatable Bonds 26
Van der Waals Molecular Volume 519.05
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 10.82
Molar Refractivity 137.91

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Created at
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Updated at
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