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L-Octanoylcarnitine

CAT: 0607-BA7521-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0607-BA7521-10Size:10 mg
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CAS Number
25243-95-2
Form
A solid
Molecular Formula
C15H29NO4
Molecular Weight
287.40
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

L-Octanoylcarnitine

O-octanoyl-L-carnitine is the L-enantiomer of an O-octanoylcarnitine. It has a role as a human metabolite. It is a saturated fatty acyl-L-carnitine, a medium-chain fatty acyl-L-carnitine and an O-octanoylcarnitine. It is an enantiomer of an O-octanoyl-D-carnitine.

CAS Number25243-95-2
PubChem CID11953814
IUPAC Name(3R)-3-octanoyloxy-4-(trimethylazaniumyl)butanoate
Molecular FormulaC15H29NO4
Molecular Weight287.39
XLogP3.4
Topological Polar Surface Area66.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count11
Heavy Atom Count20
Formal Charge0
Complexity291
SMILES
CCCCCCCC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C
InChI
InChI=1S/C15H29NO4/c1-5-6-7-8-9-10-15(19)20-13(11-14(17)18)12-16(2,3)4/h13H,5-12H2,1-4H3/t13-/m1/s1
InChIKey
CXTATJFJDMJMIY-CYBMUJFWSA-N
Chemical Structure
2D Structure
2D structure of L-Octanoylcarnitine
CAS: 25243-95-2
CID: 11953814
Formula: C15H29NO4
MW: 287.39
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight287.39
XLogP33.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count11
Exact Mass287.20965841
Monoisotopic Mass287.20965841
Topological Polar Surface Area66.4 Ų
Heavy Atom Count20
Formal Charge0
Complexity291
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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