Structure Database (LMSD)

O + N _ O O H O
Common Name
O-5Z-dodecenoyl-R-Carnitine
Systematic Name
3-[(5Z)-dodecenoyloxy]-4-(trimethylazaniumyl)butanoate
Synonyms
  • CAR 12:1(5Z)
LM ID
LMFA07070115
Formula
C19H35NO4
Exact Mass
Calculate m/z
341.256609
Sum Composition
CAR 12:1
Status
Active (generated by computational methods)
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]

String Representations

InChiKey (Click to copy)
PETYOUXDCHQKTQ-QXPKXGMISA-N
InChi (Click to copy)
InChI=1S/C19H35NO4/c1-5-6-7-8-9-10-11-12-13-14-19(23)24-17(15-18(21)22)16-20(2,3)4/h10-11,17H,5-9,12-16H2,1-4H3/b11-10-/t17-/m1/s1
SMILES (Click to copy)
O=C(CCC/C=C\CCCCCC)O[C@](CC([O-])=O)(C[N+](C)(C)C)[H]

References

Other Databases

PubChem CID
171117723

Calculated Physicochemical Properties

Heavy Atoms 24
Rings
Aromatic Rings
Rotatable Bonds 15
Van der Waals Molecular Volume 375.50
Topological Polar Surface Area 66.43
Hydrogen Bond Donors
Hydrogen Bond Acceptors 5
logP 3.01
Molar Refractivity 95.84

Reactions

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Reactions graph legend

Admin

Created at
9th Nov 2023
Updated at
9th Nov 2023