Structure Database (LMSD)
Common Name
(9Z)-3-hydroxydodecenoylcarnitine
Systematic Name
3-{[(9Z)-3-hydroxydodec-9-enoyl]oxy}-4-(trimethylazaniumyl)butanoate
Synonyms
- 3-{[(9Z)-3-hydroxydodec-9-enoyl]oxy}-4-(trimethylammonio)butanoate
- cis-3-hydroxydodec-9-enoylcarnitine
LM ID
LMFA07070024
Formula
Exact Mass
Calculate m/z
357.251524
Sum Composition
Status
Active
3D model of (9Z)-3-hydroxydodecenoylcarnitine
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
PKPXVGIKUXUYEF-SREVYHEPSA-N
InChi (Click to copy)
InChI=1S/C19H35NO5/c1-5-6-7-8-9-10-11-12-16(21)13-19(24)25-17(14-18(22)23)15-20(2,3)4/h6-7,16-17,21H,5,8-15H2,1-4H3/b7-6-
SMILES (Click to copy)
C(C([O-])=O)C(OC(CC(O)CCCCC/C=C\CC)=O)C[N+](C)(C)C
References
Calculated Physicochemical Properties
Heavy Atoms
25
Rings
0
Aromatic Rings
0
Rotatable Bonds
15
Van der Waals Molecular Volume
384.29
Topological Polar Surface Area
86.66
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
6
logP
2.27
Molar Refractivity
97.74
Reactions
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Admin
Created at
-
Updated at
25th Apr 2022