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CHEBI:207382 - Versicotide E

ChEBI IDCHEBI:207382
ChEBI NameVersicotide E
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SubmitterMetaboLights
DownloadsMolfile
FormulaC26H29N5O5
Net Charge0
Average Mass491.548
Monoisotopic Mass491.21687
SMILESC[C@@H]1NC(=O)c2ccccc2NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2NC(=O)[C@H](C)N(C)C1=O
InChIInChI=1S/C26H29N5O5/c1-15-25(35)30(3)16(2)22(32)28-20-12-7-5-10-18(20)26(36)31-14-8-13-21(31)24(34)29-19-11-6-4-9-17(19)23(33)27-15/h4-7,9-12,15-16,21H,8,13-14H2,1-3H3,(H,27,33)(H,28,32)(H,29,34)/t15-,16-,21-/m0/s1
InChIKeyKUXLNZPWYWBNQT-QYWGDWMGSA-N
Species of MetaboliteComponentSourceComments
Aspergillus versicolor (ncbitaxon:46472) - DOI (10.1039/c7ra07940k)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Versicotide E (CHEBI:207382) is a dipeptide (CHEBI:46761)
IUPAC Name 
(7S,18S,21S)-18,20,21-trimethyl-3,9,17,20,23-pentazatetracyclo[22.4.0.03,7.010,15]octacosa-1(28),10,12,14,24,26-hexaene-2,8,16,19,22-pentone
Manual XrefsDatabases
62453210ChemSpider