Structure Database (LMSD)

Common Name
(S)-9-Hydroxy-10-undecenoic acid
Systematic Name
9S-hydroxy-10-undecenoic acid
Synonyms
LM ID
LMFA01050436
Formula
C11H20O3
Exact Mass
Calculate m/z
200.141245
Sum Composition
FA 11:1;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)
CJUFNYIRKDOQMC-SNVBAGLBSA-N
InChi (Click to copy)
InChI=1S/C11H20O3/c1-2-10(12)8-6-4-3-5-7-9-11(13)14/h2,10,12H,1,3-9H2,(H,13,14)/t10-/m1/s1
SMILES (Click to copy)
C=C[C@@H](O)CCCCCCCC(=O)O

Other Databases

HMDB ID
HMDB32662
CHEBI ID
165422
PubChem CID
73242170

Calculated Physicochemical Properties

Heavy Atoms 14
Rings 0
Aromatic Rings 0
Rotatable Bonds 9
Van der Waals Molecular Volume 219.95
Topological Polar Surface Area 57.53
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 2.63
Molar Refractivity 56.67

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Created at
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Updated at
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