Structure Database (LMSD)

Common Name
15-hydroxy-pentacosanoic acid
Systematic Name
15-hydroxy-pentacosanoic acid
Synonyms
LM ID
LMFA01050217
Formula
C25H50O3
Exact Mass
Calculate m/z
398.375995
Sum Composition
FA 25:0;O
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Hydroxy fatty acids [FA0105]

String Representations

InChiKey (Click to copy)
JIUVLHYELZYWJO-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C25H50O3/c1-2-3-4-5-6-12-15-18-21-24(26)22-19-16-13-10-8-7-9-11-14-17-20-23-25(27)28/h24,26H,2-23H2,1H3,(H,27,28)
SMILES (Click to copy)
C(CCCCCCCCCCCCCC(O)CCCCCCCCCC)(=O)O

Other Databases

LIPIDAT ID
4926
CHEBI ID
165402
PubChem CID
5312784

Calculated Physicochemical Properties

Heavy Atoms 28
Rings 0
Aromatic Rings 0
Rotatable Bonds 23
Van der Waals Molecular Volume 464.79
Topological Polar Surface Area 57.53
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 8.32
Molar Refractivity 121.40

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Created at
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Updated at
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