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WormBase Tree Display for Molecule: WBMol:00004324

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Name Class

WBMol:00004324Public_namealpha-amanitin
FormulaC39H54N10O14S
Monoisotopic_mass918.354
IUPAC1,8-anhydro-S(1),C(2.5)-cyclo[L-cysteinyl-L-asparaginyl-trans-4-hydroxy-L-prolyl-(R)-4,5-dihydroxy-L-isoleucyl-6-hydroxy-L-tryptophylglycyl-L-isoleucylglycine] (R)-S(1)-oxide
SMILES[H][C@]12Cc3c([nH]c4cc(O)ccc34)[S@](=O)C[C@]([H])(NC(=O)CNC(=O)[C@@]([H])(NC(=O)CNC1=O)[C@@H](C)CC)C(=O)N[C@@H](CC(N)=O)C(=O)N1C[C@H](O)C[C@@]1([H])C(=O)N[C@@]([H])([C@@H](C)[C@@H](O)CO)C(=O)N2
InChiInChI=1S/C39H54N10O14S/c1-4-16(2)31-36(60)42-11-29(55)43-25-15-64(63)38-21(20-6-5-18(51)7-22(20)46-38)9-23(33(57)41-12-30(56)47-31)44-37(61)32(17(3)27(53)14-50)48-35(59)26-8-19(52)13-49(26)39(62)24(10-28(40)54)45-34(25)58/h5-7,16-17,19,23-27,31-32,46,50-53H,4,8-15H2,1-3H3,(H2,40,54)(H,41,57)(H,42,60)(H,43,55)(H,44,61)(H,45,58)(H,47,56)(H,48,59)/t16-,17-,19+,23-,24-,25-,26-,27-,31-,32-,64+/m0/s1
InChiKeyCIORWBWIBBPXCG-SXZCQOKQSA-N
Synonymalpha-Amanitin
Alpha-Amanitin
DB_infoDatabaseNLM_MeSHUIDD053959
CTDChemicalIDD053959
ChEBICHEBI_ID37415
ChemIDplusRN23109-05-9
KEGG COMPOUNDAccession_numberC08438
Affects_phenotype_ofVariationWBVar00088580WBPhenotype:0000089Paper_evidenceWBPaper00000654
Person_evidenceWBPerson261
Curator_confirmedWBPerson712
WBVar00088656WBPhenotype:0000089Person_evidenceWBPerson261
Curator_confirmedWBPerson712
WBVar02149986WBPhenotype:0000306Paper_evidenceWBPaper00057192
Curator_confirmedWBPerson712
WBVar02149987WBPhenotype:0000306Paper_evidenceWBPaper00057192
Curator_confirmedWBPerson712
InteractionWBInteraction000542514