Structure Database (LMSD)

Common Name
(5Z,8Z)-tetradecadienoylcarnitine
Systematic Name
3-[(5Z,8Z)-tetradeca-5,8-dienoyloxy]-4-(trimethylazaniumyl)butanoate
Synonyms
  • 3-[(5Z,8Z)-tetradeca-5,8-dienoyloxy]-4-(trimethylammonio)butanoate
  • 5-cis,8cis-tetradecadienoylcarnitine
LM ID
LMFA07070020
Status
Active
Exact Mass
Calculate m/z
367.272259
Formula
C21H37NO4
Abbrev
CAR 14:2
Show lipids differing only in stereochemistry/bond geometry
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MDLMOL SDF CSV TSV
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Main

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]

String Representations

InChiKey (Click to copy)
REUVFPFCXKWJQA-UTJQPWESSA-N
InChi (Click to copy)
InChI=1S/C21H37NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-21(25)26-19(17-20(23)24)18-22(2,3)4/h9-10,12-13,19H,5-8,11,14-18H2,1-4H3/b10-9-,13-12-
SMILES (Click to copy)
O(C(CCC/C=C\C/C=C\CCCCC)=O)C(CC([O-])=O)C[N+](C)(C)C

References

Other Databases

CHEBI ID
73059
PubChem CID
71464539

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 0
Aromatic Rings 0
Rotatable Bonds 16
Van der Waals Molecular Volume 407.46
Topological Polar Surface Area 66.43
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 5
logP 3.57
Molar Refractivity 104.98

Reactions

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Created at
-
Updated at
25th Apr 2022