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CHEBI:205457 - Balgacyclamide A

ChEBI IDCHEBI:205457
ChEBI NameBalgacyclamide A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC25H36N6O5S
Net Charge0
Average Mass532.667
Monoisotopic Mass532.24679
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]2N=C(O[C@@H]2C)[C@@H](C)NC(=O)c2csc1n2
InChIInChI=1S/C25H36N6O5S/c1-8-11(4)17-25-27-15(9-37-25)20(32)26-12(5)23-30-18(13(6)35-23)21(33)28-16(10(2)3)24-31-19(14(7)36-24)22(34)29-17/h9-14,16-19H,8H2,1-7H3,(H,26,32)(H,28,33)(H,29,34)/t11-,12+,13+,14+,16-,17+,18-,19-/m0/s1
InChIKeyHEBALIVNNXPKNZ-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 A (CHEBI:205457) is a cyclic peptide (CHEBI:23449)
IUPAC Name 
(4R,7R,8S,11S,14R,15S,18R)-18-[(2S)-butan-2-yl]-4,7,14-trimethyl-11-propan-2-yl-6,13-dioxa-20-thia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.15,8.112,15]tetracosa-1(21),5(24),12(23),19(22)-tetraene-2,9,16-trione
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