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CHEBI:177725 - Ulimorelin

ChEBI IDCHEBI:177725
ChEBI NameUlimorelin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H39FN4O4
Net Charge0
Average Mass538.664
Monoisotopic Mass538.29553
SMILES[H][C@@]1(C2CC2)NC[C@@H](C)Oc2ccccc2CCCNC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@@H](C)N(C)C1=O
InChIInChI=1S/C30H39FN4O4/c1-19-18-33-27(23-12-13-23)30(38)35(3)20(2)28(36)34-25(17-21-10-14-24(31)15-11-21)29(37)32-16-6-8-22-7-4-5-9-26(22)39-19/h4-5,7,9-11,14-15,19-20,23,25,27,33H,6,8,12-13,16-18H2,1-3H3,(H,32,37)(H,34,36)/t19-,20-,25-,27+/m1/s1
InChIKeyWGYPAJVJMXQXTR-ABNZCKJZSA-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)
Ulimorelin (CHEBI:177725) is a oligopeptide (CHEBI:25676)
IUPAC Name 
(3R,6S,9R,12R)-6-cyclopropyl-12-[(4-luorophenyl)methyl]-3,8,9-trimethyl-2-oxa-5,8,11,14-tetrazabicyclo[16.4.0]docosa-1(22),18,20-triene-7,10,13-trione
Manual XrefsDatabases
DB12128DrugBank
9701482ChemSpider
D09981KEGG DRUG
Registry NumbersSources
CAS:842131-33-3ChemIDplus