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CHEBI:211881 - Carbamidocyclophane N

ChEBI IDCHEBI:211881
ChEBI NameCarbamidocyclophane N
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SubmitterMetaboLights
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FormulaC38H56Br2N2O8
Net Charge0
Average Mass828.680
Monoisotopic Mass826.24034
SMILESC[C@H]1CCCC[C@H](CCCCBr)c2c(O)cc(cc2O)[C@H](OC(N)=O)[C@@H](C)CCCC[C@H](CCCCBr)c2c(O)cc(cc2O)[C@@H]1OC(N)=O
InChIInChI=1S/C38H56Br2N2O8/c1-23-11-3-5-13-25(15-7-9-17-39)34-31(45)21-28(22-32(34)46)36(50-38(42)48)24(2)12-4-6-14-26(16-8-10-18-40)33-29(43)19-27(20-30(33)44)35(23)49-37(41)47/h19-26,35-36,43-46H,3-18H2,1-2H3,(H2,41,47)(H2,42,48)/t23-,24-,25+,26+,35+,36+/m0/s1
InChIKeyWRARFMLYIOUCLD-LHTGRSOQSA-N
Species of MetaboliteComponentSourceComments
Nostocspecies (ncbitaxon:1180) - PubMed (26805858)
ChEBI Ontology
Outgoing Relation(s)
Carbamidocyclophane N (CHEBI:211881) is a phenols (CHEBI:33853)
IUPAC Name 
[(2R,3S,8R,13R,14S,19R)-8,19-bis(4-bromobutyl)-13-carbamoyloxy-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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