EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:205233 - 2-(2-(3-hydroxy-1-(1H-indol-3-yl)-2-methoxypropyl)-1H-indol-3-yl) acetic acid

ChEBI IDCHEBI:205233
ChEBI Name2-(2-(3-hydroxy-1-(1H-indol-3-yl)-2-methoxypropyl)-1H-indol-3-yl) acetic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H22N2O4
Net Charge0
Average Mass378.428
Monoisotopic Mass378.15796
SMILESCOC(CO)[C@@H](c1nc2ccccc2c1CC(=O)O)c1cnc2ccccc12
InChIInChI=1S/C22H22N2O4/c1-28-19(12-25)21(16-11-23-17-8-4-2-7-14(16)17)22-15(10-20(26)27)13-6-3-5-9-18(13)24-22/h2-9,11,19,21,23-25H,10,12H2,1H3,(H,26,27)/t19?,21-/m0/s1
InChIKeyMQRYPXXPMWCWNO-QWAKEFERSA-N
Species of MetaboliteComponentSourceComments
Rubrobacter radiotolerans (ncbitaxon:42256) - PubMed (25655350)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
2-(2-(3-hydroxy-1-(1H-indol-3-yl)-2-methoxypropyl)-1H-indol-3-yl) acetic acid (CHEBI:205233) is a indole-3-acetic acids (CHEBI:24803)
IUPAC Name 
2-[2-[(1R)-3-hydroxy-1-(1H-indol-3-yl)-2-methoxypropyl]-1H-indol-3-yl]acetic acid
Manual XrefsDatabases
35516896ChemSpider