Molecule ID: 71464489

IUPAC Name: 3-[(E)-5-carboxypent-2-enoyl]oxy-4-(trimethylazaniumyl)butanoate

Description: The molecule is an O-acylcarnitine having (2E)-hexenedioyl as the acyl substituent. It has a role as a mouse metabolite. It derives from a carnitine.

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

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

InChI: InChI=1S/C13H21NO6/c1-14(2,3)9-10(8-12(17)18)20-13(19)7-5-4-6-11(15)16/h5,7,10H,4,6,8-9H2,1-3H3,(H-,15,16,17,18)/b7-5+

Molecular Properties:
- Polar Surface Area: 104.0 Ų
- LogP: 0.6