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CHEBI:197841 - Unguisin C

ChEBI IDCHEBI:197841
ChEBI NameUnguisin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H54N8O8
Net Charge0
Average Mass774.920
Monoisotopic Mass774.40646
SMILESCC(C)[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](C)NC(=O)CCCNC(=O)[C@@H](Cc2cnc3ccccc23)NC(=O)[C@@H](CO)NC1=O
InChIInChI=1S/C40H54N8O8/c1-22(2)33-39(55)45-29(18-25-12-7-6-8-13-25)37(53)48-34(23(3)4)40(56)46-31(21-49)38(54)44-30(19-26-20-42-28-15-10-9-14-27(26)28)36(52)41-17-11-16-32(50)43-24(5)35(51)47-33/h6-10,12-15,20,22-24,29-31,33-34,42,49H,11,16-19,21H2,1-5H3,(H,41,52)(H,43,50)(H,44,54)(H,45,55)(H,46,56)(H,47,51)(H,48,53)/t24-,29+,30-,31-,33-,34-/m1/s1
InChIKeyDYUXTXRHHWGWDU-FAPNWWIJSA-N
Species of MetaboliteComponentSourceComments
Aspergillus unguis (ncbitaxon:40381) - PubMed (12150814)
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 C (CHEBI:197841) is a cyclic peptide (CHEBI:23449)
IUPAC Name 
(3R,6R,9R,12S,15R,18R)-12-benzyl-6-(hydroxymethyl)-3-(1H-indol-3-ylmethyl)-18-methyl-9,15-di(propan-2-yl)-1,4,7,10,13,16,19-heptazacyclotricosane-2,5,8,11,14,17,20-heptone
Manual XrefsDatabases
78439566ChemSpider