Molecule ID: 91825718

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

Description: The molecule is an O-acylcarnitine in which the acyl group specified is glutaconyl. It has a role as a metabolite. It derives from an (E)-glutaconic acid.

SMILES: C[N+](C)(C)CC(CC(=O)[O-])OC(=O)/C=C/CC(=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][=Branch1][C][=O][O]

InChI: InChI=1S/C12H19NO6/c1-13(2,3)8-9(7-11(16)17)19-12(18)6-4-5-10(14)15/h4,6,9H,5,7-8H2,1-3H3,(H-,14,15,16,17)/b6-4+

Molecular Properties:
- Polar Surface Area: 104.0 Ų
- LogP: 0.3