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CHEBI:225572 - Solitumidine A

ChEBI IDCHEBI:225572
ChEBI NameSolitumidine A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC20H27N3O3
Net Charge0
Average Mass357.454
Monoisotopic Mass357.20524
SMILESC=CC(C)(C)c1nc2ccccc2c1CCNC(=O)CC[C@H](N)C(=O)O
InChIInChI=1S/C20H27N3O3/c1-4-20(2,3)18-14(13-7-5-6-8-16(13)23-18)11-12-22-17(24)10-9-15(21)19(25)26/h4-8,15,23H,1,9-12,21H2,2-3H3,(H,22,24)(H,25,26)/t15-/m0/s1
InChIKeyVDQLSHBTEUIHBU-HNNXBMFYSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (31895573)
ChEBI Ontology
Outgoing Relation(s)
Solitumidine A (CHEBI:225572) is a glutamine derivative (CHEBI:70813)
IUPAC Name 
(2S)-2-amino-5-[2-[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]ethylamino]-5-oxopentanoic acid
Manual XrefsDatabases
81367084ChemSpider