Structure Database (LMSD)

Common Name
3-hydroxy-cis-5-octenoylcarnitine
Systematic Name
3-{[(5Z)-3-hydroxyoct-5-enoyl]oxy}-4-(trimethylazaniumyl)butanoate
Synonyms
  • (Z)-3-hydroxy-5-octenoylcarnitine
  • 3-{[(5Z)-3-hydroxyoct-5-enoyl]oxy}-4-(trimethylammonio)butanoate
LM ID
LMFA07070038
Formula
C15H27NO5
Exact Mass
Calculate m/z
301.188924
Sum Composition
CAR 8:1;O
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty esters [FA07]
Fatty acyl carnitines [FA0707]
Fatty Acids and Conjugates [FA01]
Unsaturated fatty acids [FA0103]
Hydroxy fatty acids [FA0105]

Reactions

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Reactions graph legend

String Representations

InChiKey (Click to copy)
YVCSXKPTXFIUHA-SREVYHEPSA-N
InChi (Click to copy)
InChI=1S/C15H27NO5/c1-5-6-7-8-12(17)9-15(20)21-13(10-14(18)19)11-16(2,3)4/h6-7,12-13,17H,5,8-11H2,1-4H3/b7-6-
SMILES (Click to copy)
C(C[N+](C)(C)C)(OC(=O)CC(O)C/C=C\CC)CC(=O)[O-]

Other Databases

CHEBI ID
73043
PubChem CID
71464491

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 0
Aromatic Rings 0
Rotatable Bonds 11
Van der Waals Molecular Volume 315.09
Topological Polar Surface Area 86.66
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 6
logP 0.71
Molar Refractivity 79.28

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Created at
-
Updated at
25th Apr 2022