Molecule ID: 71464558

IUPAC Name: 3-[(Z)-3-hydroxyoctadec-9-enoyl]oxy-4-(trimethylazaniumyl)butanoate

Description: The molecule is an O-acylcarnitine having (9Z)-3-hydroxyoctadecenoyl as the acyl substituent. It has a role as a metabolite. It derives from a carnitine.

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

SELFIES: [C][C][C][C][C][C][C][C][/C][=C][\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/C25H47NO5/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(27)19-25(30)31-23(20-24(28)29)21-26(2,3)4/h12-13,22-23,27H,5-11,14-21H2,1-4H3/b13-12-

Molecular Properties:
- Polar Surface Area: 86.7 Ų
- LogP: 6.5