Structure via PubChem · Public domain (PubChem)
amanin
Sign in to saveAmanin is a cyclic peptide. It is one of the amatoxins, all of which are found in several members of the mushroom genus Amanita.
Chemical data
- Formula
- C39H53N9O14S
- Molecular weight
- 904 g/mol
- IUPAC name
- 2-[34-butan-2-yl-8,22-dihydroxy-13-(3-hydroxybutan-2-yl)-2,5,11,14,27,30,33,36,39-nonaoxo-27lambda4-thia-3,6,12,15,25,29,32,35,38-nonazapentacyclo[14.12.11.06,10.018,26.019,24]nonatriaconta-18(26),19(24),20,22-tetraen-4-yl]acetic acid
- SMILES
- CCC(C)C1C(=O)NCC(=O)NC2CS(=O)C3=C(CC(C(=O)NCC(=O)N1)NC(=O)C(NC(=O)C4CC(CN4C(=O)C(NC2=O)CC(=O)O)O)C(C)C(C)O)C5=C(N3)C=C(C=C5)O
- InChIKey
- OFILNAORONITPV-UHFFFAOYSA-N
- XLogP
- -2.7
- Polar surface area
- 374 Ų
- H-bond donors
- 12
- H-bond acceptors
- 15
- Formal charge
- 0
via PubChem
Wikidata facts
- Mass
- 903.343268376
Show 5 more facts
- subject has role
- amatoxin
- chemical formula
- C₃₉H₅₃N₉O₁₄S
- found in taxon
- Acanthochlamys bracteata
- isomeric SMILES
- CC[C@H](C)[C@@H]1NC(=O)CNC(=O)[C@@H]2Cc3c([nH]c4ccccc34)[S+]([O-])C[C@@H](NC(=O)CNC1=O)C(=O)N[C@@H](CC(=O)O)C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@@H]([C@@H](C)[C@@H](O)CO)C(=O)N2
- canonical SMILES
- CCC(C)C1NC(=O)CNC(=O)C2Cc3c([nH]c4ccccc34)[S+]([O-])CC(NC(=O)CNC1=O)C(=O)NC(CC(=O)O)C(=O)N1CC(O)CC1C(=O)NC(C(C)C(O)CO)C(=O)N2
Sources (2)
via Wikidata · CC0
~1 min read
Encyclopedic overview
3 sectionsContents
- Toxicology
- See also
- References
Amanin is a cyclic peptide. It is one of the amatoxins, all of which are found in several members of the mushroom genus Amanita.
==Toxicology==
Excerpted from Wikipedia’s “amanin” article, available under the CC BY-SA 4.0 licence.