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CHEBI:210739 - Balgacyclamide B

Default Structure
ChEBI IDCHEBI:210739
ChEBI NameBalgacyclamide B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H38N6O6S
Net Charge0
Average Mass550.682
Monoisotopic Mass550.25735
SMILESCC[C@H](C)[C@H]1NC(=O)[C@H]2N=C(O[C@@H]2C)[C@H](C(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](C)NC(=O)c2csc1n2
InChIInChI=1S/C25H38N6O6S/c1-8-11(4)17-25-27-15(9-38-25)21(34)26-12(5)20(33)30-18(13(6)32)22(35)28-16(10(2)3)24-31-19(14(7)37-24)23(36)29-17/h9-14,16-19,32H,8H2,1-7H3,(H,26,34)(H,28,35)(H,29,36)(H,30,33)/t11-,12+,13+,14+,16-,17+,18-,19-/m0/s1
InChIKeyXRULOHJFZLNAKT-VODSQIEYSA-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 B (CHEBI:210739) is a cyclic peptide (CHEBI:23449)
IUPAC Name 
(1S,4R,11R,14S,17S,20R)-4-[(2S)-butan-2-yl]-14-[(1R)-1-hydroxyethyl]-11,20-dimethyl-17-propan-2-yl-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
Manual XrefsDatabases
31140451ChemSpider