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CHEBI:204427 - Amaninamide

ChEBI IDCHEBI:204427
ChEBI NameAmaninamide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC39H54N10O13S
Net Charge0
Average Mass902.985
Monoisotopic Mass902.35925
SMILESCCC(C)C1NC(=O)CNC(=O)C2Cc3c(nc4ccccc34)[S@@](=O)CC(NC(=O)CNC1=O)C(=O)NC(CC(N)=O)C(=O)N1C[C@H](O)CC1C(=O)NC([C@H](C)[C@H](O)CO)C(=O)N2
InChIInChI=1S/C39H54N10O13S/c1-4-17(2)31-36(59)42-12-29(54)43-25-16-63(62)38-21(20-7-5-6-8-22(20)46-38)10-23(33(56)41-13-30(55)47-31)44-37(60)32(18(3)27(52)15-50)48-35(58)26-9-19(51)14-49(26)39(61)24(11-28(40)53)45-34(25)57/h5-8,17-19,23-27,31-32,46,50-52H,4,9-16H2,1-3H3,(H2,40,53)(H,41,56)(H,42,59)(H,43,54)(H,44,60)(H,45,57)(H,47,55)(H,48,58)/t17?,18-,19-,23?,24?,25?,26?,27-,31?,32?,63+/m1/s1
InChIKeyBOHCOUQZNDPURZ-HWHSBKPKSA-N
Species of MetaboliteComponentSourceComments
Amanita virosa (ncbitaxon:78357) - PubMed (7188908)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Amaninamide (CHEBI:204427) is a heterodetic cyclic peptide (CHEBI:24533)
IUPAC Name 
2-[(8R,27R)-34-butan-2-yl-13-[(2S,3S)-3,4-dihydroxybutan-2-yl]-8-hydroxy-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),19,21,23-tetraen-4-yl]acetamide
Manual XrefsDatabases
78445130ChemSpider