EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:215462 - Bacicyclin

ChEBI IDCHEBI:215462
ChEBI NameBacicyclin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H48N6O6
Net Charge0
Average Mass600.761
Monoisotopic Mass600.36353
SMILESCC[C@H](C)[C@@H]1NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)NC1=O
InChIInChI=1S/C31H48N6O6/c1-8-19(6)26-31(43)33-20(7)27(39)35-23(15-21-12-10-9-11-13-21)28(40)32-16-24(38)34-22(14-17(2)3)29(41)36-25(18(4)5)30(42)37-26/h9-13,17-20,22-23,25-26H,8,14-16H2,1-7H3,(H,32,40)(H,33,43)(H,34,38)(H,35,39)(H,36,41)(H,37,42)/t19-,20+,22-,23+,25-,26-/m0/s1
InChIKeyOBFRQFUQLPRNNO-WLBISBHISA-N
Species of MetaboliteComponentSourceComments
Bacillus (ncbitaxon:1386) - PubMed (29422389)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Bacicyclin (CHEBI:215462) is a cyclic peptide (CHEBI:23449)
IUPAC Name 
(3R,6R,9S,12S,15S)-3-benzyl-9-[(2S)-butan-2-yl]-6-methyl-15-(2-methylpropyl)-12-propan-2-yl-1,4,7,10,13,16-hexazacyclooctadecane-2,5,8,11,14,17-hexone