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CHEBI:208659 - Versicoloritide B

ChEBI IDCHEBI:208659
ChEBI NameVersicoloritide B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H35N5O5
Net Charge0
Average Mass545.640
Monoisotopic Mass545.26382
SMILESO=C1CNC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)N1
InChIInChI=1S/C30H35N5O5/c36-26-19-31-27(37)24-13-7-15-34(24)30(40)23(18-21-11-5-2-6-12-21)33-28(38)25-14-8-16-35(25)29(39)22(32-26)17-20-9-3-1-4-10-20/h1-6,9-12,22-25H,7-8,13-19H2,(H,31,37)(H,32,36)(H,33,38)/t22-,23-,24-,25-/m0/s1
InChIKeyHOYUVNRHMGMLTE-QORCZRPOSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - DOI (10.1016/j.tet.2011.07.003)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Versicoloritide B (CHEBI:208659) is a oligopeptide (CHEBI:25676)
IUPAC Name 
(3S,6S,12S,18S)-3,12-dibenzyl-1,4,10,13,16-pentazatricyclo[16.3.0.06,10]henicosane-2,5,11,14,17-pentone
Manual XrefsDatabases
29214486ChemSpider