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CHEBI:214362 - Unguisin E

ChEBI IDCHEBI:214362
ChEBI NameUnguisin E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC41H56N8O7
Net Charge0
Average Mass772.948
Monoisotopic Mass772.42720
SMILESCC(c1ccccc1)[C@@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](C)NC(=O)CCCNC(=O)[C@@H](Cc2cnc3ccccc23)NC(=O)[C@H](C)NC(=O)[C@@H](C(C)C)NC1=O
InChIInChI=1S/C41H56N8O7/c1-22(2)33-39(54)45-26(7)36(51)46-31(20-28-21-43-30-17-12-11-16-29(28)30)38(53)42-19-13-18-32(50)44-25(6)37(52)47-34(23(3)4)40(55)49-35(41(56)48-33)24(5)27-14-9-8-10-15-27/h8-12,14-17,21-26,31,33-35,43H,13,18-20H2,1-7H3,(H,42,53)(H,44,50)(H,45,54)(H,46,51)(H,47,52)(H,48,56)(H,49,55)/t24?,25-,26+,31-,33-,34-,35+/m1/s1
InChIKeyNZNSTOHSZZLSNP-XMILAPNPSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - DOI (10.1007/s10600-011-0059-2)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Unguisin E (CHEBI:214362) is a peptide (CHEBI:16670)
IUPAC Name 
(3R,6S,9R,12S,15R,18R)-3-(1H-indol-3-ylmethyl)-6,18-dimethyl-12-(1-phenylethyl)-9,15-di(propan-2-yl)-1,4,7,10,13,16,19-heptazacyclotricosane-2,5,8,11,14,17,20-heptone
Manual XrefsDatabases
28185031ChemSpider