Structure Database (LMSD)

Common Name
N-oleoyl taurine
Systematic Name
N-(9Z-octadecenoyl)-taurine
Synonyms
LM ID
LMFA08020081
Formula
C20H39NO4S
Exact Mass
Calculate m/z
389.259981
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty amides [FA08]
N-acyl amines [FA0802]
Fatty Acids and Conjugates [FA01]
Unsaturated fatty acids [FA0103]

String Representations

InChiKey (Click to copy)
KOGRJTUIKPMZEJ-KTKRTIGZSA-N
InChi (Click to copy)
InChI=1S/C20H39NO4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(22)21-18-19-26(23,24)25/h9-10H,2-8,11-19H2,1H3,(H,21,22)(H,23,24,25)/b10-9-
SMILES (Click to copy)
N(CCS(O)(=O)=O)C(CCCCCCC/C=C\CCCCCCCC)=O

Other Databases

CHEBI ID
146206
PubChem CID
6437033
Cayman ID
10005609

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 0
Aromatic Rings 0
Rotatable Bonds 18
Van der Waals Molecular Volume 413.95
Topological Polar Surface Area 83.47
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 4
logP 6.85
Molar Refractivity 109.76

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Created at
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Updated at
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