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CHEBI:211922 - Carbamidocyclophane U

ChEBI IDCHEBI:211922
ChEBI NameCarbamidocyclophane U
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SubmitterMetaboLights
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FormulaC37H53Br4NO7
Net Charge0
Average Mass943.447
Monoisotopic Mass939.05555
SMILESC[C@H]1CCCC[C@H](CCCC(Br)Br)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/C37H53Br4NO7/c1-21-9-3-5-11-24(14-8-16-32(40)41)34-29(45)19-26(20-30(34)46)36(49-37(42)48)22(2)10-4-6-12-23(13-7-15-31(38)39)33-27(43)17-25(35(21)47)18-28(33)44/h17-24,31-32,35-36,43-47H,3-16H2,1-2H3,(H2,42,48)/t21-,22-,23+,24+,35+,36+/m0/s1
InChIKeyIUDYVLGONCYFPN-PLKRWIMUSA-N
Species of MetaboliteComponentSourceComments
Nostocspecies (ncbitaxon:1180) - PubMed (26805858)
ChEBI Ontology
Outgoing Relation(s)
Carbamidocyclophane U (CHEBI:211922) is a phenols (CHEBI:33853)
IUPAC Name 
[(2R,3S,8R,13R,14S,19R)-8,19-bis(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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78439221ChemSpider