CHEBI:8040 - phalloidin

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ChEBI Name phalloidin ChEBI ID CHEBI:8040 Definition A homodetic bicyclic heptapeptide having a sulfide bridge. Stars This entity has been manually annotated by the ChEBI Team. 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 C35H48N8O11S Net Charge 0 Average Mass 788.86894 Monoisotopic Mass 788.31633 InChI InChI=1S/C35H48N8O11S/c1-15-27(47)38-22-10-20-19-7-5-6-8-21(19)41-33(20)55-13-24(34(53)43-12-18(46)9-25(43)31(51)37-15)40-32(52)26(17(3)45)42-28(48)16(2)36-30(50)23(39-29(22)49)11-35(4,54)14-44/h5-8,15-18,22-26,41,44-46,54H,9-14H2,1-4H3,(H,36,50)(H,37,51)(H,38,47)(H,39,49)(H,40,52)(H,42,48)/t15-,16-,17-,18-,22-,23-,24-,25-,26+,35+/m0/s1 InChIKey KPKZJLCSROULON-QKGLWVMZSA-N SMILES [H][C@]12CSc3[nH]c4ccccc4c3C[C@]([H])(NC(=O)[C@H](C)NC(=O)[C@]3([H])C[C@H](O)CN3C1=O)C(=O)N[C@@H](C[C@@](C)(O)CO)C(=O)N[C@@H](C)C(=O)N[C@]([H])([C@H](C)O)C(=O)N2 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 phalloidin (CHEBI:8040) is a homodetic cyclic peptide (CHEBI:24613) Incoming tetramethylrhodamine phalloidin (CHEBI:52313) has functional parent phalloidin (CHEBI:8040) IUPAC Name (1S,14R,18S,20S,23S,28S,31S,34R)-28-[(2R)-2,3-dihydroxy-2-methylpropyl]-18-hydroxy-34-[(1S)-1-hydroxyethyl]-23,31-dimethyl-12-thia-10,16,22,25,27,30,33,36-octaazapentacyclo[12.11.11.03,11.04,9.016,20]hexatriaconta-3(11),4,6,8-tetraene-15,21,24,26,29,32,35-heptone Synonyms Sources cyclic(L-alanyl-D-threonyl-L-cysteinyl-cis-4-hydroxy-L-prolyl-L-alanyl-2-mercapto-L-tryptophyl-4,5-dihydroxy-L-leucyl), cyclic (3,6)-sulfide ChemIDplus Phalloidin KEGG COMPOUND Phalloidine KEGG COMPOUND Manual Xrefs Databases C00001519 KNApSAcK C08439 KEGG COMPOUND View more database links Registry Numbers Types Sources 17466-45-4 CAS Registry Number ChemIDplus 4347460 Beilstein Registry Number Beilstein Last Modified 28 July 2014