Molecule ID: 91666346

IUPAC Name: (3R)-3-[(E)-3-carboxyprop-2-enoyl]oxy-4-(trimethylazaniumyl)butanoate

Description: The molecule is an O-acyl-L-carnitine in which the acyl group is specified as fumaryl. It has a role as a metabolite. It is an O-acyl-L-carnitine and an O-fumarylcarnitine. It derives from a fumaric acid.

SMILES: C[N+](C)(C)C[C@@H](CC(=O)[O-])OC(=O)/C=C/C(=O)O

SELFIES: [C][N+1][Branch1][C][C][Branch1][C][C][C][C@@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O-1][O][C][=Branch1][C][=O][/C][=C][/C][=Branch1][C][=O][O]

InChI: InChI=1S/C11H17NO6/c1-12(2,3)7-8(6-10(15)16)18-11(17)5-4-9(13)14/h4-5,8H,6-7H2,1-3H3,(H-,13,14,15,16)/b5-4+/t8-/m1/s1

Molecular Properties:
- Polar Surface Area: 104.0 Ų
- LogP: 0.1