Molecule ID: 122391300

IUPAC Name: (2S)-3-hydroxy-2-[[(Z)-octadec-9-enoyl]amino]propanoate

Description: The molecule is an N-acyl-L-alpha-amino acid anion resulting from the deprotonation of the carboxy group of N-oleoyl-L-serine. The major species at pH 7.3. It is a N-acyl-L-alpha-amino acid anion and a N-(fatty acyl)-L-alpha-amino acid anion. It is a conjugate base of a N-oleoyl-L-serine.

SMILES: CCCCCCCC/C=C\CCCCCCCC([O-])=N[C@@H](CO)C(=O)O

SELFIES: [C][C][C][C][C][C][C][C][/C][=C][\C][C][C][C][C][C][C][C][Branch1][C][O-1][=N][C@@H1][Branch1][Ring1][C][O][C][=Branch1][C][=O][O]

InChI: InChI=1S/C21H39NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(24)22-19(18-23)21(25)26/h9-10,19,23H,2-8,11-18H2,1H3,(H,22,24)(H,25,26)/p-1/b10-9-/t19-/m0/s1

Molecular Properties:
- Polar Surface Area: 89.5 Ų
- LogP: 6.6