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CHEBI:203737 - Unguisin A

ChEBI IDCHEBI:203737
ChEBI NameUnguisin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H54N8O7
Net Charge0
Average Mass758.921
Monoisotopic Mass758.41155
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](C)NC1=O
InChIInChI=1S/C40H54N8O7/c1-22(2)33-39(54)44-25(6)35(50)45-31(20-27-21-42-29-16-11-10-15-28(27)29)37(52)41-18-12-17-32(49)43-24(5)36(51)47-34(23(3)4)40(55)46-30(38(53)48-33)19-26-13-8-7-9-14-26/h7-11,13-16,21-25,30-31,33-34,42H,12,17-20H2,1-6H3,(H,41,52)(H,43,49)(H,44,54)(H,45,50)(H,46,55)(H,47,51)(H,48,53)/t24-,25-,30+,31-,33-,34-/m1/s1
InChIKeyJLLVQPKAQVOYFS-KVOZXUITSA-N
Species of MetaboliteComponentSourceComments
Aspergillus unguis (ncbitaxon:40381) - PubMed (10346973)
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 A (CHEBI:203737) is a peptide (CHEBI:16670)
IUPAC Name 
(3R,6R,9R,12S,15R,18R)-12-benzyl-3-(1H-indol-3-ylmethyl)-6,18-dimethyl-9,15-di(propan-2-yl)-1,4,7,10,13,16,19-heptazacyclotricosane-2,5,8,11,14,17,20-heptone
Manual XrefsDatabases
8828057ChemSpider