Structure Database (LMSD)

O + N O _ O O
Common Name
(7Z,10Z)-hexadecadienoylcarnitine
Systematic Name
3-[(7Z,10Z)-hexadeca-7,10-dienoyloxy]-4-(trimethylazaniumyl)butanoate
Synonyms
  • 3-[(7Z,10Z)-hexadeca-7,10-dienoyloxy]-4-(trimethylammonio)butanoate
  • 7cis,10cis-hexadecadienoylcarnitine
LM ID
LMFA07070021
Formula
C23H41NO4
Exact Mass
Calculate m/z
395.303559
Sum Composition
CAR 16:2
Status
Active
Show lipids differing only in stereochemistry/bond geometry

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)
XNGJEEKHLXXKLB-UTJQPWESSA-N
InChi (Click to copy)
InChI=1S/C23H41NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(27)28-21(19-22(25)26)20-24(2,3)4/h9-10,12-13,21H,5-8,11,14-20H2,1-4H3/b10-9-,13-12-
SMILES (Click to copy)
O(C(CCCCC/C=C\C/C=C\CCCCC)=O)C(CC(=O)[O-])C[N+](C)(C)C

References

Other Databases

CHEBI ID
73065
PubChem CID
71464545

Calculated Physicochemical Properties

Heavy Atoms 28
Rings 0
Aromatic Rings 0
Rotatable Bonds 18
Van der Waals Molecular Volume 442.06
Topological Polar Surface Area 66.43
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 5
logP 4.35
Molar Refractivity 114.22

Reactions

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Reactions graph legend

Admin

Created at
-
Updated at
25th Apr 2022