Structure Database (LMSD)

Common Name
pentacosanal
Systematic Name
pentacosanal
Synonyms
LM ID
LMFA06000106
Formula
C25H50O
Exact Mass
Calculate m/z
366.386165
Sum Composition
FAL 25:0
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty aldehydes [FA06]

String Representations

InChiKey (Click to copy)
HAGKFWXVDSAFHB-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C25H50O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26/h25H,2-24H2,1H3
SMILES (Click to copy)
C(CCCCCCCCCCCCC(=O)[H])CCCCCCCCCCC

Other Databases

CHEBI ID
188048
PubChem CID
181174

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 0
Aromatic Rings 0
Rotatable Bonds 23
Van der Waals Molecular Volume 447.21
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 9.18
Molar Refractivity 117.93

Admin

Created at
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Updated at
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