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CHEBI:211917 - Carbamidocyclophane T

ChEBI IDCHEBI:211917
ChEBI NameCarbamidocyclophane T
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FormulaC37H54Br3NO7
Net Charge0
Average Mass864.551
Monoisotopic Mass861.14504
SMILESC[C@H]1CCCC[C@H](CCCCBr)c2c(O)cc(cc2O)[C@H](OC(N)=O)[C@@H](C)CCCC[C@H](CCCC(Br)Br)c2c(O)cc(cc2O)[C@@H]1O
InChIInChI=1S/C37H54Br3NO7/c1-22-10-3-5-12-24(14-7-8-17-38)33-30(44)20-27(21-31(33)45)36(48-37(41)47)23(2)11-4-6-13-25(15-9-16-32(39)40)34-28(42)18-26(35(22)46)19-29(34)43/h18-25,32,35-36,42-46H,3-17H2,1-2H3,(H2,41,47)/t22-,23-,24+,25+,35+,36+/m0/s1
InChIKeyRSYMSFYFRRTHOX-IULTZZOBSA-N
Species of MetaboliteComponentSourceComments
Nostocspecies (ncbitaxon:1180) - PubMed (26805858)
ChEBI Ontology
Outgoing Relation(s)
Carbamidocyclophane T (CHEBI:211917) is a phenols (CHEBI:33853)
IUPAC Name 
[(2R,3S,8R,13R,14S,19R)-19-(4-bromobutyl)-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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78439220ChemSpider