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CHEBI:211910 - Carbamidocyclophane S

ChEBI IDCHEBI:211910
ChEBI NameCarbamidocyclophane S
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DownloadsMolfile
FormulaC37H55Br2NO7
Net Charge0
Average Mass785.655
Monoisotopic Mass783.23453
SMILESCCCC[C@H]1CCCC[C@H](C)[C@@H](O)c2cc(O)c(c(O)c2)[C@@H](CCCC(Br)Br)CCCC[C@H](C)[C@@H](OC(N)=O)c2cc(O)c1c(O)c2
InChIInChI=1S/C37H55Br2NO7/c1-4-5-13-24-14-8-6-11-22(2)35(45)26-18-28(41)34(29(42)19-26)25(16-10-17-32(38)39)15-9-7-12-23(3)36(47-37(40)46)27-20-30(43)33(24)31(44)21-27/h18-25,32,35-36,41-45H,4-17H2,1-3H3,(H2,40,46)/t22-,23-,24-,25+,35+,36+/m0/s1
InChIKeyLVFPFIWBRYXLNE-CCNIBDGSSA-N
Species of MetaboliteComponentSourceComments
Nostocspecies (ncbitaxon:1180) - PubMed (26805858)
ChEBI Ontology
Outgoing Relation(s)
Carbamidocyclophane S (CHEBI:211910) is a phenols (CHEBI:33853)
IUPAC Name 
[(2R,3S,8R,13R,14S,19S)-19-butyl-8-(4,4-dibromobutyl)-10,13,21,24,26-pentahydroxy-3,14-dimethyl-2-tricyclo[18.2.2.29,12]hexacosa-1(22),9,11,20,23,25-hexaenyl] carbamate
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78439219ChemSpider