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CHEBI:198037 - (-)-Ternatin

ChEBI IDCHEBI:198037
ChEBI Name(-)-Ternatin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H67N7O8
Net Charge0
Average Mass737.984
Monoisotopic Mass737.50511
SMILESCC[C@H](C)[C@H]1NC(=O)[C@@H]([C@H](O)C(C)C)NC(=O)[C@@H](C)N(C)C(=O)[C@H](C)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](C)N(C)C1=O
InChIInChI=1S/C37H67N7O8/c1-16-22(8)28-37(52)43(14)25(11)35(50)44(15)27(18-20(4)5)32(47)38-26(17-19(2)3)36(51)42(13)24(10)34(49)41(12)23(9)31(46)40-29(33(48)39-28)30(45)21(6)7/h19-30,45H,16-18H2,1-15H3,(H,38,47)(H,39,48)(H,40,46)/t22-,23+,24-,25-,26-,27-,28+,29+,30+/m0/s1
InChIKeyZMFVAIFXJWEOMH-PTPSPKLBSA-N
Species of MetaboliteComponentSourceComments
Trametes versicolor (ncbitaxon:5325) - DOI (10.1016/j.tetlet.2006.04.073)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
(-)-Ternatin (CHEBI:198037) is a oligopeptide (CHEBI:25676)
IUPAC Name 
(3S,6S,9S,12S,15R,18R,21R)-15-[(2S)-butan-2-yl]-18-[(1R)-1-hydroxy-2-methylpropyl]-1,3,4,10,12,13,21-heptamethyl-6,9-bis(2-methylpropyl)-1,4,7,10,13,16,19-heptazacyclohenicosane-2,5,8,11,14,17,20-heptone
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9882259ChemSpider