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CHEBI:82432 - Cyclochlorotine

ChEBI IDCHEBI:82432
ChEBI NameCyclochlorotine
Stars
Last Modified8 October 2014
DownloadsMolfile
FormulaC24H31Cl2N5O7
Net Charge0
Average Mass572.446
Monoisotopic Mass571.16005
SMILES[H][C@]12C(=O)N[C@@H](CC)C(=O)NC(=O)[C@H](CO)N[C@@H](c3ccccc3)CC(=O)N[C@@H](CO)C(=O)N1CC(Cl)C2Cl
InChIInChI=1S/C24H31Cl2N5O7/c1-2-14-21(35)30-22(36)16(10-32)27-15(12-6-4-3-5-7-12)8-18(34)28-17(11-33)24(38)31-9-13(25)19(26)20(31)23(37)29-14/h3-7,13-17,19-20,27,32-33H,2,8-11H2,1H3,(H,28,34)(H,29,37)(H,30,35,36)/t13?,14-,15+,16-,17-,19?,20-/m0/s1
InChIKeyBVRQNGBSIAKFAI-LDZHDPLISA-N
ChEBI Ontology
Outgoing Relation(s)
Cyclochlorotine (CHEBI:82432) is a organochlorine compound (CHEBI:36683)
Manual XrefsDatabases
C19379KEGG COMPOUND
Registry NumbersSources
CAS:12663-46-6KEGG COMPOUND