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CHEBI:177853 - danegaptide

ChEBI IDCHEBI:177853
ChEBI Namedanegaptide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H17N3O4
Net Charge0
Average Mass291.307
Monoisotopic Mass291.12191
SMILESNCC(=O)N1C[C@H](NC(=O)c2ccccc2)C[C@H]1C(=O)O
InChIInChI=1S/C14H17N3O4/c15-7-12(18)17-8-10(6-11(17)14(20)21)16-13(19)9-4-2-1-3-5-9/h1-5,10-11H,6-8,15H2,(H,16,19)(H,20,21)/t10-,11+/m1/s1
InChIKeyBIZKIHUJGMSVFD-MNOVXSKESA-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)
danegaptide (CHEBI:177853) is a dipeptide (CHEBI:46761)
IUPAC Name 
(2S,4R)-1-(2-aminoacetyl)-4-benzamidopyrrolidine-2-carboxylic acid
Manual XrefsDatabases
17589967ChemSpider
D09599KEGG DRUG
DB11821DrugBank
LSM-45532LINCS
Registry NumbersSources
CAS:943134-39-2ChemIDplus