Molecule ID: 71464493

IUPAC Name: 3-[(2E,5Z,7E)-deca-2,5,7-trienoyl]oxy-4-(trimethylazaniumyl)butanoate

Description: The molecule is an O-acylcarnitine having (2E,5Z,7E)-decatrienoyl as the acyl substituent. It has a role as a mouse metabolite. It derives from a carnitine.

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

SELFIES: [C][C][/C][=C][/C][=C][\C][/C][=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/C17H27NO4/c1-5-6-7-8-9-10-11-12-17(21)22-15(13-16(19)20)14-18(2,3)4/h6-9,11-12,15H,5,10,13-14H2,1-4H3/b7-6+,9-8-,12-11+

Molecular Properties:
- Polar Surface Area: 66.4 Ų
- LogP: 3.2