3-(indol-3-yl)lactate

AlkaPlorer ID: AK008803

Synonym: '7417-65-4', 'Indolelactic acid', '3-(indol-3-yl)lactic acid', 'indole-3-lactate', 'Indoleglycollic acid', 'Indolelactate', 'MLS000515793', '3-(Indol-3-yl)lactic acid', '3-(indol-3-yl)lactate', 'DL-Indole-3-lactic acid', 'SMR000112267', 'indole lactate', 'alpha-Hydroxy-1H-indole-3-propanoic acid', '1821-52-9', 'Indole-3-lactic acid', 'MLSMR', 'indole-3-lactic acid'

IUPAC Name: (2R)-2-hydroxy-3-(1H-indol-3-yl)propanoic acid

Structure

SMILES: O=C(O)[C@H](O)CC1=CNC2=CC=CC=C12

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InChI: InChI=1S/C11H11NO3/c13-10(11(14)15)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,10,12-13H,5H2,(H,14,15)/t10-/m1/s1

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InChIKey: XGILAAMKEQUXLS-SNVBAGLBSA-N

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Source

Properties Information

Molecule Weight: 205.213

TPSA: 73.32

MolLogP: 1.1559000000000004

Number of H-Donors: 3

Number of H-Acceptors: 2

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT022592 O=C(O)C(=O)Cc1c[nH]c2ccccc12>>O=C(O)[C@H](O)Cc1c[nH]c2ccccc12 INDOLELACTATE-DEHYDROGENASE-RXN
AKRT023095 O=C(O)[C@H](O)Cc1c[nH]c2ccccc12>>O=C(O)C(O)Cc1c[nH]c2cc(O)ccc12 MNXR134387
AKRT023096 O=C(O)[C@H](O)Cc1c[nH]c2ccccc12>>O=C([CoA])[C@H](O)Cc1c[nH]c2ccccc12 RXN-19895