CHEBI:29566 - Cyclothialidine

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ChEBI Name Cyclothialidine ChEBI ID CHEBI:29566 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C26H35N5O12S Net Charge 0 Average Mass 641.650 Monoisotopic Mass 641.20029 InChI InChI=1S/C26H35N5O12S/c1-10-17(34)5-18(35)12-8-44-9-15(22(37)28-11(2)25(40)41)30-21(36)14(7-43-26(42)19(10)12)29-23(38)20-16(33)3-4-31(20)24(39)13(27)6-32/h5,11,13-16,20,32-35H,3-4,6-9,27H2,1-2H3,(H,28,37)(H,29,38)(H,30,36)(H,40,41)/t11-,13?,14-,15-,16+,20-/m0/s1 InChIKey HMHQWJDFNVJCHA-ZPGBQQFCSA-N SMILES C[C@H](NC(=O)[C@@H]1CSCc2c(O)cc(O)c(C)c2C(=O)OC[C@H](NC(=O)[C@@H]2[C@H](O)CCN2C(=O)C(N)CO)C(=O)N1)C(O)=O Roles Classification Chemical Role(s): Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound ) View more via ChEBI Ontology ChEBI Ontology Outgoing Cyclothialidine (CHEBI:29566) is a peptide (CHEBI:16670) Synonym Source Cyclothialidine KEGG COMPOUND Manual Xrefs Databases C00016928 KNApSAcK C12057 KEGG COMPOUND View more database links Registry Number Type Source 147214-63-9 CAS Registry Number KEGG COMPOUND Last Modified 28 July 2014