EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:55530 - (R)-3-(5-benzyloxyindol-3-yl)lactic acid

ChEBI IDCHEBI:55530
ChEBI Name(R)-3-(5-benzyloxyindol-3-yl)lactic acid
Stars
ASCII Name(R)-3-(5-benzyloxyindol-3-yl)lactic acid
DefinitionA propanoic acid derivative having an (R)-hydroxy substituent at the 2-position and a 5-benzyloxy-1H-indol-3-yl group at the 3-position.
Last Modified11 February 2010
SubmitterSteve
DownloadsMolfile
FormulaC18H17NO4
Net Charge0
Average Mass311.337
Monoisotopic Mass311.11576
SMILESO=C(O)[C@H](O)Cc1cnc2ccc(OCc3ccccc3)cc12
InChIInChI=1S/C18H17NO4/c20-17(18(21)22)8-13-10-19-16-7-6-14(9-15(13)16)23-11-12-4-2-1-3-5-12/h1-7,9-10,17,19-20H,8,11H2,(H,21,22)/t17-/m1/s1
InChIKeyWUWWQOPSMGVQAG-QGZVFWFLSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
(R)-3-(5-benzyloxyindol-3-yl)lactic acid (CHEBI:55530) has functional parent 1H-indole (CHEBI:16881)
(R)-3-(5-benzyloxyindol-3-yl)lactic acid (CHEBI:55530) has functional parent propionic acid (CHEBI:30768)
(R)-3-(5-benzyloxyindol-3-yl)lactic acid (CHEBI:55530) is a (2R)-2-hydroxy monocarboxylic acid (CHEBI:17893)
(R)-3-(5-benzyloxyindol-3-yl)lactic acid (CHEBI:55530) is conjugate acid of (R)-3-(5-benzyloxyindol-3-yl)lactate (CHEBI:55531)
Incoming Relation(s)
(R)-3-(5-benzyloxyindol-3-yl)lactate (CHEBI:55531) is conjugate base of (R)-3-(5-benzyloxyindol-3-yl)lactic acid (CHEBI:55530)
IUPAC Name 
(2R)-3-[5-(benzyloxy)-1H-indol-3-yl]-2-hydroxypropanoic acid