CHEBI:211875 - Carbamidocyclophane M

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Carbamidocyclophane M
ChEBI ID CHEBI:211875
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C38H57BrN2O8
Net Charge 0
Average Mass 749.784
Monoisotopic Mass 748.32983
InChI InChI=1S/C38H57BrN2O8/c1-4-5-14-25-15-8-6-12-23(2)36(49-38(41)47)28-21-31(44)34(32(45)22-28)26(17-10-11-18-39)16-9-7-13-24(3)35(48-37(40)46)27-19-29(42)33(25)30(43)20-27/h19-26,35-36,42-45H,4-18H2,1-3H3,(H2,40,46)(H2,41,47)/t23-,24-,25-,26+,35+,36+/m0/s1
InChIKey GMONSDQGAGUQRU-YXTQZPCGSA-N
SMILES BrCCCC[C@@H]1C2=C(O)C=C([C@H](OC(=O)N)[C@H](CCCC[C@H](CCCC)C3=C(C=C([C@@H]([C@H](CCCC1)C)OC(=O)N)C=C3O)O)C)C=C2O
Metabolite of Species Details
Nostocspecies (NCBI:txid1180) See: PubMed
ChEBI Ontology
Outgoing Carbamidocyclophane M (CHEBI:211875) is a phenols (CHEBI:33853)
IUPAC Name
[(2R,3S,8S,13R,14S,19R)-19-(4-bromobutyl)-8-butyl-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
Manual Xref Database
78439213 ChemSpider
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