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CHEBI:230091 - Epitalon

Default Structure
ChEBI IDCHEBI:230091
ChEBI NameEpitalon
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H22N4O9
Net Charge0
Average Mass390.349
Monoisotopic Mass390.13868
SMILESC[C@H](N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)O
InChIInChI=1S/C14H22N4O9/c1-6(15)12(25)17-7(2-3-9(19)20)14(27)18-8(4-10(21)22)13(26)16-5-11(23)24/h6-8H,2-5,15H2,1H3,(H,16,26)(H,17,25)(H,18,27)(H,19,20)(H,21,22)(H,23,24)/t6-,7-,8-/m0/s1
InChIKeyHGHOBRRUMWJWCU-FXQIFTODSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
Epitalon (CHEBI:230091) is a organic molecular entity (CHEBI:50860)
IUPAC Name 
(4S)-4-[[(2S)-2-aminopropanoyl]amino]-5-[[(2S)-3-carboxy-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
Manual XrefsDatabases
189872ChemSpider
DB17882DrugBank