Molecule ID: 71464501

IUPAC Name: 4-[(E)-7-carboxyhept-2-enoyl]oxy-4-(trimethylazaniumyl)butanoate

Description: The molecule is an O-acylcarnitine having (2E)-7-carboxyhept-2-enoyl as the acyl substituent. It has a role as a metabolite. It is an O-acylcarnitine, a carboxylic ester and an ammonium betaine. It derives from a carnitine.

SMILES: C[N+](C)(C)C(CCC(=O)[O-])OC(=O)/C=C/CCCCC(=O)O

SELFIES: [C][N+1][Branch1][C][C][Branch1][C][C][C][Branch1][Branch2][C][C][C][=Branch1][C][=O][O-1][O][C][=Branch1][C][=O][/C][=C][/C][C][C][C][C][=Branch1][C][=O][O]

InChI: InChI=1S/C15H25NO6/c1-16(2,3)12(10-11-14(19)20)22-15(21)9-7-5-4-6-8-13(17)18/h7,9,12H,4-6,8,10-11H2,1-3H3,(H-,17,18,19,20)/b9-7+

Molecular Properties:
- Polar Surface Area: 104.0 Ų
- LogP: 2.0