CHEBI:230091 - Epitalon

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Epitalon
ChEBI ID CHEBI:230091
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C14H22N4O9
Net Charge 0
Average Mass 390.349
Monoisotopic Mass 390.13868
InChI InChI=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
InChIKey HGHOBRRUMWJWCU-FXQIFTODSA-N
SMILES O=C(N[C@@H](CC(O)=O)C(=O)NCC(O)=O)[C@@H](NC(=O)[C@@H](N)C)CCC(O)=O
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). See: MetaboLights Study
ChEBI Ontology
Outgoing 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 Xrefs Databases
189872 ChemSpider
DB17882 KEGG DRUG
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