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
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
URTBCBICNCMCPB-XAZJVICWSA-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+
SMILES (Click to copy)
C(C[N+](C)(C)C)(OC(=O)/C=C/C=C\CCCCC)CC(=O)[O-]
References
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
Reactions
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Genes - taxonomic species to visualise:
Admin
Created at
-
Updated at
25th Apr 2022