Structure Database (LMSD)

Common Name
Hydroxynervonic acid
Systematic Name
2-hydroxy-15Z-tetracosenoic acid
Synonyms
LM ID
LMFA01050216
Formula
C24H46O3
Exact Mass
Calculate m/z
382.344695
Sum Composition
FA 24:1;O
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Hydroxy fatty acids [FA0105]
Unsaturated fatty acids [FA0103]

String Representations

InChiKey (Click to copy)
UFOOFOUFKSIFCD-KTKRTIGZSA-N
InChi (Click to copy)
InChI=1S/C24H46O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(25)24(26)27/h9-10,23,25H,2-8,11-22H2,1H3,(H,26,27)/b10-9-
SMILES (Click to copy)
C(C(O)CCCCCCCCCCCC/C=C\CCCCCCCC)(=O)O

References

Other Databases

LIPIDAT ID
1807
CHEBI ID
85341
PubChem CID
5312783

Calculated Physicochemical Properties

Heavy Atoms 27
Rings 0
Aromatic Rings 0
Rotatable Bonds 21
Van der Waals Molecular Volume 444.85
Topological Polar Surface Area 57.53
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 7.71
Molar Refractivity 116.69

Admin

Created at
-
Updated at
-