Structure via PubChem · Public domain (PubChem)
In the Vinony graph
Vinony's link graph records 199 inbound references to Amanullinic acid, and connects out to solasonine, lipopolysaccharide and amatoxin.
It sits within the topics Amatoxins, Chembox image size set and Hepatotoxins.
Vinony links it to 9 Wikipedia language editions.
Chemical data
- Formula
- C39H53N9O13S
- Molecular weight
- 888 g/mol
- IUPAC name
- 2-[13,34-di(butan-2-yl)-8,22-dihydroxy-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)CC)C5=C(N3)C=C(C=C5)O
- InChIKey
- HFENEIQMWRYNGK-UHFFFAOYSA-N
- XLogP
- -1.6
- Polar surface area
- 354 Ų
- H-bond donors
- 11
- H-bond acceptors
- 14
- Formal charge
- 0
via PubChem
Wikidata facts
- Subclass of
- chemical compound
- Mass
- 887.348354
Show 2 more facts
- chemical formula
- C₃₉H₅₃N₉O₁₃S
- canonical 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)CC)C5=C(N3)C=C(C=C5)O
Sources (1)
via Wikidata · CC0