CHEBI:5166 - Frangulanine

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ChEBI Name Frangulanine ChEBI ID CHEBI:5166 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 C28H44N4O4 Net Charge 0 Average Mass 500.674 Monoisotopic Mass 500.33626 InChI InChI=1S/C28H44N4O4/c1-9-19(6)24(32(7)8)28(35)31-23-25(18(4)5)36-21-12-10-20(11-13-21)14-15-29-26(33)22(16-17(2)3)30-27(23)34/h10-15,17-19,22-25H,9,16H2,1-8H3,(H,29,33)(H,30,34)(H,31,35)/b15-14-/t19-,22-,23-,24-,25-/m0/s1 InChIKey ULQXKOIGVXLOOC-RJJCKBEYSA-N SMILES CC[C@H](C)[C@H](N(C)C)C(=O)N[C@H]1[C@@H](Oc2ccc(cc2)\C=C/NC(=O)[C@H](CC(C)C)NC1=O)C(C)C 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 Frangulanine (CHEBI:5166) is a cyclic peptide (CHEBI:23449) Synonym Source Frangulanine KEGG COMPOUND Manual Xrefs Databases C00001998 KNApSAcK C10003 KEGG COMPOUND View more database links Registry Number Type Source 25350-22-5 CAS Registry Number KEGG COMPOUND Last Modified 28 July 2014