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
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Formula C35H48N8O11S
Net Charge 0
Average Mass 788.86894
Monoisotopic Mass 788.316
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