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CHEBI:225241 - Raocyclamide A

ChEBI IDCHEBI:225241
ChEBI NameRaocyclamide A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H30N6O5S
Net Charge0
Average Mass550.641
Monoisotopic Mass550.19984
SMILESCC[C@H](C)C1NC(=O)c2coc(n2)[C@H](C)NC(=O)[C@H]2COC(=N2)[C@@H](Cc2ccccc2)NC(=O)c2csc1n2
InChIInChI=1S/C27H30N6O5S/c1-4-14(2)21-27-32-20(13-39-27)24(36)29-17(10-16-8-6-5-7-9-16)26-31-18(12-38-26)22(34)28-15(3)25-30-19(11-37-25)23(35)33-21/h5-9,11,13-15,17-18,21H,4,10,12H2,1-3H3,(H,28,34)(H,29,36)(H,33,35)/t14-,15-,17+,18+,21?/m0/s1
InChIKeyPNCLWRPJCHTJRB-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 A (CHEBI:225241) is a cyclic peptide (CHEBI:23449)
IUPAC Name 
(4R,8R,11S)-4-benzyl-18-[(2S)-butan-2-yl]-11-methyl-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),14,19(22)-pentaene-2,9,16-trione
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78437772ChemSpider