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CHEBI:227540 - Unguisin B

ChEBI IDCHEBI:227540
ChEBI NameUnguisin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H56N8O7
Net Charge0
Average Mass724.904
Monoisotopic Mass724.42720
SMILESCC(C)C[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/C37H56N8O7/c1-19(2)16-27-35(50)45-30(20(3)4)36(51)41-23(8)32(47)42-28(17-24-18-39-26-13-10-9-12-25(24)26)34(49)38-15-11-14-29(46)40-22(7)33(48)44-31(21(5)6)37(52)43-27/h9-10,12-13,18-23,27-28,30-31,39H,11,14-17H2,1-8H3,(H,38,49)(H,40,46)(H,41,51)(H,42,47)(H,43,52)(H,44,48)(H,45,50)/t22-,23-,27+,28-,30-,31-/m1/s1
InChIKeySTCFDPSTGTYYBQ-MDODTGCMSA-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 B (CHEBI:227540) is a peptide (CHEBI:16670)
IUPAC Name 
(3R,6R,9R,12S,15R,18R)-3-(1H-indol-3-ylmethyl)-6,18-dimethyl-12-(2-methylpropyl)-9,15-di(propan-2-yl)-1,4,7,10,13,16,19-heptazacyclotricosane-2,5,8,11,14,17,20-heptone
Manual XrefsDatabases
9977664ChemSpider