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Oleoyl-L-Carnitine

CAT: 1299-RM-C011403-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-C011403-01Size:10 mg
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CAS Number
38677-66-6
Synonyms
(R, Z) -3- (oleoyloxy) -4- (trimethylammonio) butanoate
Molecular Formula
C25H47NO4
Molecular Weight
425.64
Target Alternative Name
L-Carnitine
Product Name Synonym
(R, Z) -3- (oleoyloxy) -4- (trimethylammonio) butanoate

Chemical Information

Oleoyllevocarnitine

(R)-oleoylcarnitine is an O-acyl-L-carnitine in which the acyl group is specified as oleoyl. It has a role as a human metabolite and a glycine transporter 2 inhibitor. It is functionally related to an oleic acid.

CAS Number38677-66-6
PubChem CID46907933
IUPAC Name(3R)-3-[(Z)-octadec-9-enoyl]oxy-4-(trimethylazaniumyl)butanoate
Molecular FormulaC25H47NO4
Molecular Weight425.6
XLogP7.9
Topological Polar Surface Area66.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count20
Heavy Atom Count30
Formal Charge0
Complexity463
SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C
InChI
InChI=1S/C25H47NO4/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/h12-13,23H,5-11,14-22H2,1-4H3/b13-12-/t23-/m1/s1
InChIKey
IPOLTUVFXFHAHI-WHIOSMTNSA-N
Chemical Structure
2D Structure
2D structure of Oleoyllevocarnitine
CAS: 38677-66-6
CID: 46907933
Formula: C25H47NO4
MW: 425.6
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight425.6
XLogP37.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count20
Exact Mass425.35050898
Monoisotopic Mass425.35050898
Topological Polar Surface Area66.4 Ų
Heavy Atom Count30
Formal Charge0
Complexity463
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes