CHEMICAL AND PHYSICAL PROPERTIES
| Collision Cross Section | 143.8 Ų [M+H]+ [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)] |
|---|
COMPUTED DESCRIPTORS
| Molecular Weight | 205.21 g/mol |
|---|---|
| XLogP3 | 1.5 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 205.07389321 g/mol |
| Monoisotopic Mass | 205.07389321 g/mol |
| Topological Polar Surface Area | 73.3 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 244 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
3-(indol-3-yl)lactic acid is a hydroxy monocarboxylic acid that is lactic acid substituted by a 1H-indol-3-yl group at position 3. It is a metabolite of tryptophan. It has a role as a human metabolite. It is an indol-3-yl carboxylic acid and a hydroxy monocarboxylic acid. It is functionally related to a rac-lactic acid. It is a conjugate acid of a 3-(indol-3-yl)lactate.