Structure Database (LMSD)

Common Name
(11Z)-eicoseneoylcarnitine
Systematic Name
3-[(11Z)-icos-11-enoyloxy]-4-(trimethylazaniumyl)butanoate
Synonyms
  • (11Z)-icoseneoylcarnitine
  • 11-cis-eicoseneoylcarnitine
  • 11-cis-icoseneoylcarnitine
  • 3-[(11Z)-icos-11-enoyloxy]-4-(trimethylammonio)butanoate
LM ID
LMFA07070010
Status
Active
Exact Mass
Calculate m/z
453.381809
Formula
Abbrev



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MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
PVOQPLSKYNZHOT-SEYXRHQNSA-N
InChi (Click to copy)
InChI=1S/C27H51NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-27(31)32-25(23-26(29)30)24-28(2,3)4/h12-13,25H,5-11,14-24H2,1-4H3/b13-12-
SMILES (Click to copy)
C(C/C=C\CCCCCCCC)CCCCCCCC(OC(C[N+](C)(C)C)CC([O-])=O)=O

References

Other Databases

CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 32
Rings 0
Aromatic Rings 0
Rotatable Bonds 23
Van der Waals Molecular Volume 513.90
Topological Polar Surface Area 66.43
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 5
logP 6.13
Molar Refractivity 132.78

Reactions

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Reactions graph legend

Admin

Created at
-
Updated at
25th Apr 2022