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CHEBI:210560 - Albucyclone E

ChEBI IDCHEBI:210560
ChEBI NameAlbucyclone E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC56H81N11O11
Net Charge0
Average Mass1084.330
Monoisotopic Mass1083.61170
SMILESCC[C@H](C)[C@@H]1NC(=O)[C@@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCCNC(=O)c2cncc3c2C(=O)C=C(NC)C3=O)NC(=O)[C@@H](C(C)C)NC1=O
InChIInChI=1S/C56H81N11O11/c1-13-32(10)46-56(78)66-45(31(8)9)54(76)61-37(21-17-18-22-59-49(71)36-27-58-26-35-42(36)41(68)25-38(57-12)47(35)69)50(72)64-44(30(6)7)55(77)63-40(24-34-19-15-14-16-20-34)51(73)62-39(23-28(2)3)52(74)65-43(29(4)5)53(75)60-33(11)48(70)67-46/h14-16,19-20,25-33,37,39-40,43-46,57H,13,17-18,21-24H2,1-12H3,(H,59,71)(H,60,75)(H,61,76)(H,62,73)(H,63,77)(H,64,72)(H,65,74)(H,66,78)(H,67,70)/t32-,33+,37-,39+,40+,43-,44-,45+,46-/m0/s1
InChIKeyFAVBCWJVIZOCFU-WGXYDBMXSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies JAMM992 (ncbitaxon:2302910) - PubMed (28590725)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Albucyclone E (CHEBI:210560) is a cyclic peptide (CHEBI:23449)
IUPAC Name 
N-[4-[(2S,5S,8R,11R,14S,17R,20S,23R)-8-benzyl-20-[(2S)-butan-2-yl]-17-methyl-11-(2-methylpropyl)-3,6,9,12,15,18,21,24-octaoxo-5,14,23-tri(propan-2-yl)-1,4,7,10,13,16,19,22-octazacyclotetracos-2-yl]butyl]-7-(methylamino)-5,8-dioxoisoquinoline-4-carboxamide
Manual XrefsDatabases
78440590ChemSpider