Structure Database (LMSD)

Common Name
Stearidonyl carnitine
Systematic Name
3-[(4Z,8Z,12Z,15Z)-octadeca-4,8,12,15-tetraenoyloxy]-4-(trimethylazaniumyl)butanoate
Synonyms
LM ID
LMFA07070106
Formula
C25H41NO4
Exact Mass
Calculate m/z
419.303559
Sum Composition
CAR 18:4
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)
UQCYGYDOQKYSDD-CKSNMGNXSA-N
InChi (Click to copy)
InChI=1S/C25H41NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25(29)30-23(21-24(27)28)22-26(2,3)4/h6-7,9-10,13-14,17-18,23H,5,8,11-12,15-16,19-22H2,1-4H3/b7-6-,10-9-,14-13-,18-17-/t23-/m1/s1
SMILES (Click to copy)
O=C(CC/C=C\CC/C=C\CC/C=C\C/C=C\CC)O[C@](CC([O-])=O)(C[N+](C)(C)C)[H]

Other Databases

HMDB ID
HMDB0006463
PubChem CID
53477835

Calculated Physicochemical Properties

Heavy Atoms 30
Rings 0
Aromatic Rings 0
Rotatable Bonds 18
Van der Waals Molecular Volume 471.38
Topological Polar Surface Area 66.43
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 5
logP 4.68
Molar Refractivity 123.26

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Created at
-
Updated at
17th Nov 2023