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
C19H35NO5
Exact Mass
Calculate m/z
357.251524
Sum Composition
CAR 12:1;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 are shown if the E.C. number of the enzyme catalysing it is annotated in the UniProt database for a species belonging to the selected taxonomic class.
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Reactions graph legend

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

Other Databases

CHEBI ID
73106
PubChem CID
71464579

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

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Created at
-
Updated at
25th Apr 2022