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CHEBI:212616 - Banyascyclamide B

ChEBI IDCHEBI:212616
ChEBI NameBanyascyclamide B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H30N6O5S2
Net Charge0
Average Mass522.653
Monoisotopic Mass522.17191
SMILESCC(C)C[C@@H]1NC(=O)c2csc(n2)C(C)NC(=O)c2csc(n2)C(C)NC(=O)[C@H]([C@@H](C)O)NC1=O
InChIInChI=1S/C22H30N6O5S2/c1-9(2)6-13-17(30)28-16(12(5)29)20(33)24-11(4)22-26-14(7-34-22)18(31)23-10(3)21-27-15(8-35-21)19(32)25-13/h7-13,16,29H,6H2,1-5H3,(H,23,31)(H,24,33)(H,25,32)(H,28,30)/t10?,11?,12-,13+,16+/m1/s1
InChIKeyNPBPDQUTCNAUEW-NJHYSFGNSA-N
Species of MetaboliteComponentSourceComments
Cyanobacterium (ncbitaxon:102234) - DOI (10.1016/s0040-4020(02)01326-1)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Banyascyclamide B (CHEBI:212616) is a cyclic peptide (CHEBI:23449)
IUPAC Name 
(11S,14S)-14-[(1R)-1-hydroxyethyl]-4,17-dimethyl-11-(2-methylpropyl)-6,19-dithia-3,10,13,16,21,22-hexazatricyclo[16.2.1.15,8]docosa-1(20),5(22),7,18(21)-tetraene-2,9,12,15-tetrone
Manual XrefsDatabases
78438552ChemSpider