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CHEBI:208153 - Penitropeptide

ChEBI IDCHEBI:208153
ChEBI NamePenitropeptide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC38H47N7O6
Net Charge0
Average Mass697.837
Monoisotopic Mass697.35878
SMILESCC(C)C[C@@H]1NC(=O)[C@H](Cc2cnc3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O
InChIInChI=1S/C38H47N7O6/c1-23(2)18-28-34(47)40-22-33(46)41-30(19-24-10-4-3-5-11-24)37(50)45-17-9-15-32(45)38(51)44-16-8-14-31(44)36(49)43-29(35(48)42-28)20-25-21-39-27-13-7-6-12-26(25)27/h3-7,10-13,21,23,28-32,39H,8-9,14-20,22H2,1-2H3,(H,40,47)(H,41,46)(H,42,48)(H,43,49)/t28-,29-,30-,31-,32-/m0/s1
InChIKeyOYWTWOCKXNLTSG-XDIGFQIYSA-N
Species of MetaboliteComponentSourceComments
Penicillium tropicum (ncbitaxon:228413) - DOI (10.1016/j.tetlet.2016.05.095)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Penitropeptide (CHEBI:208153) is a cyclic peptide (CHEBI:23449)
IUPAC Name 
(3S,9S,15S,18S,21S)-9-benzyl-18-(1H-indol-3-ylmethyl)-15-(2-methylpropyl)-1,7,10,13,16,19-hexazatricyclo[19.3.0.03,7]tetracosane-2,8,11,14,17,20-hexone
Manual XrefsDatabases
78437356ChemSpider