EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:226142 - Caletasin

ChEBI IDCHEBI:226142
ChEBI NameCaletasin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H47N5O6
Net Charge0
Average Mass633.790
Monoisotopic Mass633.35263
SMILESCC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](C(C)C)NC(=O)[C@@H]2CCCN2C1=O
InChIInChI=1S/C35H47N5O6/c1-21(2)18-26-35(46)40-17-9-12-28(40)31(42)38-30(22(3)4)33(44)37-27(19-24-13-15-25(41)16-14-24)34(45)39(5)29(32(43)36-26)20-23-10-7-6-8-11-23/h6-8,10-11,13-16,21-22,26-30,41H,9,12,17-20H2,1-5H3,(H,36,43)(H,37,44)(H,38,42)/t26-,27-,28-,29-,30+/m0/s1
InChIKeyDECSOYHXYHUQNR-VFFRCKCKSA-N
Species of MetaboliteComponentSourceComments
Aspergillusspecies MEXU 27854 (ncbitaxon:2801328) - DOI (10.1016/j.tetlet.2019.05.037)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Caletasin (CHEBI:226142) is a oligopeptide (CHEBI:25676)
IUPAC Name 
(3S,6S,9S,12R,15S)-6-benzyl-9-[(4-hydroxyphenyl)methyl]-7-methyl-3-(2-methylpropyl)-12-propan-2-yl-1,4,7,10,13-pentazabicyclo[13.3.0]octadecane-2,5,8,11,14-pentone