Structure Database (LMSD)

Common Name
11-Hydroxy-9-tridecenoic acid
Systematic Name
11-Hydroxy-9E-tridecenoic acid
Synonyms
LM ID
LMFA01050437
Formula
C13H24O3
Exact Mass
Calculate m/z
228.172545
Sum Composition
FA 13:1;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]
Unsaturated fatty acids [FA0103]

String Representations

InChiKey (Click to copy)
NSVPCFNUUARRKL-CSKARUKUSA-N
InChi (Click to copy)
InChI=1S/C13H24O3/c1-2-12(14)10-8-6-4-3-5-7-9-11-13(15)16/h8,10,12,14H,2-7,9,11H2,1H3,(H,15,16)/b10-8+
SMILES (Click to copy)
CCC(O)/C=C/CCCCCCCC(O)=O

Other Databases

HMDB ID
HMDB0035881
CHEBI ID
165449
PubChem CID
5318367

Calculated Physicochemical Properties

Heavy Atoms 16
Rings 0
Aromatic Rings 0
Rotatable Bonds 10
Van der Waals Molecular Volume 254.55
Topological Polar Surface Area 57.53
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 3.42
Molar Refractivity 65.90

Admin

Created at
-
Updated at
-