WormBase Tree Display for Molecule: WBMol:00004324
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WBMol:00004324 | Public_name | alpha-amanitin | ||||
---|---|---|---|---|---|---|
Formula | C39H54N10O14S | |||||
Monoisotopic_mass | 918.354 | |||||
IUPAC | 1,8-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 | |||||
InChi | InChI=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 | |||||
InChiKey | CIORWBWIBBPXCG-SXZCQOKQSA-N | |||||
Synonym | alpha-Amanitin | |||||
Alpha-Amanitin | ||||||
DB_info | Database | NLM_MeSH | UID | D053959 | ||
CTD | ChemicalID | D053959 | ||||
ChEBI | CHEBI_ID | 37415 | ||||
ChemIDplus | RN | 23109-05-9 | ||||
KEGG COMPOUND | Accession_number | C08438 | ||||
Affects_phenotype_of | Variation | WBVar00088580 | WBPhenotype:0000089 | Paper_evidence | WBPaper00000654 | |
Person_evidence | WBPerson261 | |||||
Curator_confirmed | WBPerson712 | |||||
WBVar00088656 | WBPhenotype:0000089 | Person_evidence | WBPerson261 | |||
Curator_confirmed | WBPerson712 | |||||
WBVar02149986 | WBPhenotype:0000306 | Paper_evidence | WBPaper00057192 | |||
Curator_confirmed | WBPerson712 | |||||
WBVar02149987 | WBPhenotype:0000306 | Paper_evidence | WBPaper00057192 | |||
Curator_confirmed | WBPerson712 | |||||
Interaction | WBInteraction000542514 |