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CHEBI:225588 - Solitumidine D

ChEBI IDCHEBI:225588
ChEBI NameSolitumidine D
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SubmitterMetaboLights
DownloadsMolfile
FormulaC20H27N3O5
Net Charge0
Average Mass389.452
Monoisotopic Mass389.19507
SMILESC=CC(C)(C)C(=O)Nc1ccccc1C(=O)CCNC(=O)CC[C@H](N)C(=O)O
InChIInChI=1S/C20H27N3O5/c1-4-20(2,3)19(28)23-15-8-6-5-7-13(15)16(24)11-12-22-17(25)10-9-14(21)18(26)27/h4-8,14H,1,9-12,21H2,2-3H3,(H,22,25)(H,23,28)(H,26,27)/t14-/m0/s1
InChIKeyDWHMGFROGDTAJR-AWEZNQCLSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (31895573)
ChEBI Ontology
Outgoing Relation(s)
Solitumidine D (CHEBI:225588) is a glutamine derivative (CHEBI:70813)
IUPAC Name 
(2S)-2-amino-5-[[3-[2-(2,2-dimethylbut-3-enoylamino)phenyl]-3-oxopropyl]amino]-5-oxopentanoic acid
Manual XrefsDatabases
81367087ChemSpider