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CHEBI:212320 - Ilamycin E1

ChEBI IDCHEBI:212320
ChEBI NameIlamycin E1
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC54H75N9O11
Net Charge0
Average Mass1026.246
Monoisotopic Mass1025.55860
SMILESC=CC(C)(C)n1cc(C[C@@H]2NC(=O)[C@H](C/C=C/C)NC(=O)[C@H](CC(C)C)N3C(=O)[C@H](C[C@H](C)[C@H]3O)N(C)C(=O)[C@H](C)NC(=O)[C@H](Cc3ccc(O)c([N+](=O)[O-])c3)NC(=O)[C@H](CC(C)C)N(C)C2=O)c2ccccc21
InChIInChI=1S/C54H75N9O11/c1-13-15-19-37-46(65)58-39(28-35-29-61(54(9,10)14-2)40-20-17-16-18-36(35)40)52(71)59(11)42(23-30(3)4)48(67)57-38(26-34-21-22-45(64)41(27-34)63(73)74)47(66)55-33(8)51(70)60(12)44-25-32(7)50(69)62(53(44)72)43(24-31(5)6)49(68)56-37/h13-18,20-22,27,29-33,37-39,42-44,50,64,69H,2,19,23-26,28H2,1,3-12H3,(H,55,66)(H,56,68)(H,57,67)(H,58,65)/b15-13+/t32-,33-,37-,38-,39-,42-,43-,44-,50+/m0/s1
InChIKeyWUAWZDOENUVJNH-VTLKVFOBSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - DOI (10.1038/s41467-017-00419-5)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Ilamycin E1 (CHEBI:212320) is a cyclic peptide (CHEBI:23449)
IUPAC Name 
(2S,5S,8S,11S,14S,17S,20S,22S,23R)-5-[(E)-but-2-enyl]-23-hydroxy-14-[(4-hydroxy-3-nitrophenyl)methyl]-10,17,19,22-tetramethyl-8-[[1-(2-methylbut-3-en-2-yl)indol-3-yl]methyl]-2,11-bis(2-methylpropyl)-1,4,7,10,13,16,19-heptazabicyclo[18.3.1]tetracosane-3,6,9,12,15,18,24-heptone
Manual XrefsDatabases
71048856ChemSpider