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CHEBI:177459 - Golotimod

ChEBI IDCHEBI:177459
ChEBI NameGolotimod
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H19N3O5
Net Charge0
Average Mass333.344
Monoisotopic Mass333.13247
SMILESN[C@H](CCC(=O)N[C@@H](Cc1cnc2ccccc12)C(=O)O)C(=O)O
InChIInChI=1S/C16H19N3O5/c17-11(15(21)22)5-6-14(20)19-13(16(23)24)7-9-8-18-12-4-2-1-3-10(9)12/h1-4,8,11,13,18H,5-7,17H2,(H,19,20)(H,21,22)(H,23,24)/t11-,13+/m1/s1
InChIKeyCATMPQFFVNKDEY-YPMHNXCESA-N
Species of MetaboliteComponentSourceComments
Sus scrofa (ncbitaxon:9823) sausage (ENVO:00002166) MetaboLights (MTBLS2871)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Golotimod (CHEBI:177459) is a dipeptide (CHEBI:46761)
IUPAC Name 
(2R)-2-amino-5-[[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-5-oxopentanoic acid
Manual XrefsDatabases
DB05475DrugBank
5360288ChemSpider
D08928KEGG DRUG
Registry NumbersSources
CAS:229305-39-9ChemIDplus