Structure Database (LMSD)

Common Name
30-hydroxy-triacontanoic acid
Systematic Name
30-hydroxy-triacontanoic acid
Synonyms
LM ID
LMFA01050221
Formula
C30H60O3
Exact Mass
Calculate m/z
468.454245
Sum Composition
FA 30:0;O
Status
Active
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)
IRPZBVZGZKVXHG-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C30H60O3/c31-29-27-25-23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24-26-28-30(32)33/h31H,1-29H2,(H,32,33)
SMILES (Click to copy)
C(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCO)(=O)O

Other Databases

LIPIDAT ID
4983
CHEBI ID
76220
PubChem CID
5312787
PlantFA ID
10270
SwissLipids ID
SLM:000000548

Calculated Physicochemical Properties

Heavy Atoms 33
Rings 0
Aromatic Rings 0
Rotatable Bonds 29
Van der Waals Molecular Volume 551.29
Topological Polar Surface Area 57.53
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 10.27
Molar Refractivity 144.49

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Updated at
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