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CHEBI:211888 - Carbamidocyclophane O

ChEBI IDCHEBI:211888
ChEBI NameCarbamidocyclophane O
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FormulaC38H56Br2N2O8
Net Charge0
Average Mass828.680
Monoisotopic Mass826.24034
SMILESCCCC[C@H]1CCCC[C@H](C)[C@@H](OC(N)=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/C38H56Br2N2O8/c1-4-5-13-24-14-8-6-11-22(2)36(50-38(42)48)27-20-30(45)34(31(46)21-27)25(16-10-17-32(39)40)15-9-7-12-23(3)35(49-37(41)47)26-18-28(43)33(24)29(44)19-26/h18-25,32,35-36,43-46H,4-17H2,1-3H3,(H2,41,47)(H2,42,48)/t22-,23-,24-,25+,35+,36+/m0/s1
InChIKeyFVWPSKYVDXFOTC-CCNIBDGSSA-N
Species of MetaboliteComponentSourceComments
Nostocspecies (ncbitaxon:1180) - PubMed (26805858)
ChEBI Ontology
Outgoing Relation(s)
Carbamidocyclophane O (CHEBI:211888) is a phenols (CHEBI:33853)
IUPAC Name 
[(2R,3S,8S,13R,14S,19R)-8-butyl-13-carbamoyloxy-19-(4,4-dibromobutyl)-10,21,24,26-tetrahydroxy-3,14-dimethyl-2-tricyclo[18.2.2.29,12]hexacosa-1(22),9,11,20,23,25-hexaenyl] carbamate
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