Structure Database (LMSD)

Common Name
14-Heptacosanol
Systematic Name
heptacosan-14-ol
Synonyms
LM ID
LMFA05000590
Formula
C27H56O
Exact Mass
Calculate m/z
396.433115
Sum Composition
FOH 27:0
Status
Active
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)
XHGCEYVOGZHRLW-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C27H56O/c1-3-5-7-9-11-13-15-17-19-21-23-25-27(28)26-24-22-20-18-16-14-12-10-8-6-4-2/h27-28H,3-26H2,1-2H3
SMILES (Click to copy)
CCCCCCCCCCCCCC(O)CCCCCCCCCCCCC

Other Databases

HMDB ID
HMDB0031037
PubChem CID
3084559

Calculated Physicochemical Properties

Heavy Atoms 28
Rings 0
Aromatic Rings 0
Rotatable Bonds 24
Van der Waals Molecular Volume 484.45
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 10.04
Molar Refractivity 128.67

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Created at
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Updated at
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