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CHEBI:222004 - Balgacyclamide C

ChEBI IDCHEBI:222004
ChEBI NameBalgacyclamide C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H36N6O6S
Net Charge0
Average Mass584.699
Monoisotopic Mass584.24170
SMILESCC[C@H](C)[C@H]1NC(=O)[C@H]2N=C(O[C@@H]2C)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)CNC(=O)c2csc1n2
InChIInChI=1S/C28H36N6O6S/c1-5-14(2)21-28-31-19(13-41-28)24(37)29-12-20(36)32-22(15(3)35)25(38)30-18(11-17-9-7-6-8-10-17)27-34-23(16(4)40-27)26(39)33-21/h6-10,13-16,18,21-23,35H,5,11-12H2,1-4H3,(H,29,37)(H,30,38)(H,32,36)(H,33,39)/t14-,15+,16+,18-,21+,22-,23-/m0/s1
InChIKeyQKBDCVSHWVPQHK-UGLXWSDTSA-N
Species of MetaboliteComponentSourceComments
Microcystis (ncbitaxon:1125) - PubMed (24392715)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Balgacyclamide C (CHEBI:222004) is a cyclic peptide (CHEBI:23449)
IUPAC Name 
(1S,4R,14S,17S,20R)-17-benzyl-4-[(2S)-butan-2-yl]-14-[(1R)-1-hydroxyethyl]-20-methyl-19-oxa-6-thia-3,10,13,16,21,22-hexazatricyclo[16.2.1.15,8]docosa-5(22),7,18(21)-triene-2,9,12,15-tetrone