Structure Database (LMSD)

Common Name
(2E,4Z)-decadienoylcarnitine
Systematic Name
3-[(2E,4Z)-deca-2,4-dienoyloxy]-4-(trimethylazaniumyl)butanoate
Synonyms
  • 3-[(2E,4Z)-deca-2,4-dienoyloxy]-4-(trimethylammonio)butanoate
  • cis-4-trans-2-decadienoylcarnitine
LM ID
LMFA07070015
Formula
C17H29NO4
Exact Mass
Calculate m/z
311.209659
Sum Composition
CAR 10:2
Status
Curated
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]

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)
URTBCBICNCMCPB-CWUOWYQYSA-N
InChi (Click to copy)
InChI=1S/C17H29NO4/c1-5-6-7-8-9-10-11-12-17(21)22-15(13-16(19)20)14-18(2,3)4/h9-12,15H,5-8,13-14H2,1-4H3/b10-9-,12-11+/t15-/m1/s1
SMILES (Click to copy)
O=C(/C=C/C=C\CCCCC)O[C@](CC([O-])=O)(C[N+](C)(C)C)[H]

Other Databases

PubChem CID
71464495

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 0
Aromatic Rings 0
Rotatable Bonds 12
Van der Waals Molecular Volume 338.26
Topological Polar Surface Area 66.43
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 5
logP 2.01
Molar Refractivity 86.51

Admin

Created at
-
Updated at
22nd Nov 2023