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CHEBI:222788 - Banyascyclamide A

Default Structure
ChEBI IDCHEBI:222788
ChEBI NameBanyascyclamide A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H26N6O4S2
Net Charge0
Average Mass538.655
Monoisotopic Mass538.14570
SMILESCC1NC(=O)c2csc(n2)C(C)NC(=O)[C@H]2N=C(O[C@@H]2C)[C@H](Cc2ccccc2)NC(=O)c2csc1n2
InChIInChI=1S/C25H26N6O4S2/c1-12-24-30-18(11-37-24)21(33)28-16(9-15-7-5-4-6-8-15)23-31-19(14(3)35-23)22(34)27-13(2)25-29-17(10-36-25)20(32)26-12/h4-8,10-14,16,19H,9H2,1-3H3,(H,26,32)(H,27,34)(H,28,33)/t12?,13?,14-,16+,19+/m1/s1
InChIKeyQCYRITGWCJOIEV-FFMCJANTSA-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 A (CHEBI:222788) is a cyclic peptide (CHEBI:23449)
IUPAC Name 
(4S,7R,8S)-4-benzyl-7,11,18-trimethyl-6-oxa-13,20-dithia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.15,8.112,15]tetracosa-1(21),5(24),12(23),14,19(22)-pentaene-2,9,16-trione
Manual XrefsDatabases
78437708ChemSpider