Molecule ID: 90436294

IUPAC Name: 2-[[(Z)-hexadec-9-enoyl]amino]acetic acid

Description: The molecule is a fatty acid amide resulting from the formal condensation of the carboxy group of (9Z)-hexadecenoic acid with the amino group of glycine. It has a role as a human metabolite. It is a N-acylglycine 16:1 and a fatty amide. It derives from a palmitoleic acid. It is a conjugate acid of a N-[(9Z)-hexadecenoyl]glycinate.

SMILES: CCCCCC/C=C\CCCCCCCC(O)=NCC(=O)O

SELFIES: [C][C][C][C][C][C][/C][=C][\C][C][C][C][C][C][C][C][Branch1][C][O][=N][C][C][=Branch1][C][=O][O]

InChI: InChI=1S/C18H33NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17(20)19-16-18(21)22/h7-8H,2-6,9-16H2,1H3,(H,19,20)(H,21,22)/b8-7-

Molecular Properties:
- Polar Surface Area: 66.4 Ų
- LogP: 5.5