Molecule ID: 71464491

IUPAC Name: 3-[(Z)-3-hydroxyoct-5-enoyl]oxy-4-(trimethylazaniumyl)butanoate

Description: The molecule is an O-acylcarnitine having 3-hydroxy-cis-5-octenoyl as the acyl substituent. It has a role as a metabolite. It is a carboxylic ester, an ammonium betaine and an O-(hydroxyoctenoyl)carnitine. It derives from a carnitine.

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

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

InChI: InChI=1S/C15H27NO5/c1-5-6-7-8-12(17)9-15(20)21-13(10-14(18)19)11-16(2,3)4/h6-7,12-13,17H,5,8-11H2,1-4H3/b7-6-

Molecular Properties:
- Polar Surface Area: 86.7 Ų
- LogP: 1.5