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CHEBI:209468 - Raocyclamide B

ChEBI IDCHEBI:209468
ChEBI NameRaocyclamide B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC27H32N6O6S
Net Charge0
Average Mass568.656
Monoisotopic Mass568.21040
SMILESCC[C@H](C)C1NC(=O)c2coc(n2)[C@H](C)NC(=O)[C@@H](CO)NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2csc1n2
InChIInChI=1S/C27H32N6O6S/c1-4-14(2)21-27-32-20(13-40-27)25(38)29-17(10-16-8-6-5-7-9-16)22(35)30-18(11-34)23(36)28-15(3)26-31-19(12-39-26)24(37)33-21/h5-9,12-15,17-18,21,34H,4,10-11H2,1-3H3,(H,28,36)(H,29,38)(H,30,35)(H,33,37)/t14-,15-,17+,18+,21?/m0/s1
InChIKeyYHWCLQASEOOYBT-ZUTXQSCOSA-N
Species of MetaboliteComponentSourceComments
Oscillatoria (ncbitaxon:1158) - DOI (10.1021/np960115+)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Raocyclamide B (CHEBI:209468) is a cyclic peptide (CHEBI:23449)
IUPAC Name 
(11R,14R,17S)-11-benzyl-4-[(2S)-butan-2-yl]-14-(hydroxymethyl)-17-methyl-19-oxa-6-thia-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
78437394ChemSpider