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CHEBI:210567 - Albucyclone F

ChEBI IDCHEBI:210567
ChEBI NameAlbucyclone F
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC55H79N11O11
Net Charge0
Average Mass1070.303
Monoisotopic Mass1069.59605
SMILESCNC1=CC(=O)c2c(C(=O)NCCCC[C@@H]3NC(=O)[C@@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc4ccccc4)NC(=O)[C@H](C(C)C)NC3=O)cncc2C1=O
InChIInChI=1S/C55H79N11O11/c1-27(2)22-38-51(73)65-42(28(3)4)52(74)59-32(11)47(69)63-45(31(9)10)55(77)66-44(30(7)8)53(75)60-36(20-16-17-21-58-48(70)35-26-57-25-34-41(35)40(67)24-37(56-12)46(34)68)49(71)64-43(29(5)6)54(76)62-39(50(72)61-38)23-33-18-14-13-15-19-33/h13-15,18-19,24-32,36,38-39,42-45,56H,16-17,20-23H2,1-12H3,(H,58,70)(H,59,74)(H,60,75)(H,61,72)(H,62,76)(H,63,69)(H,64,71)(H,65,73)(H,66,77)/t32-,36+,38-,39-,42+,43+,44-,45+/m1/s1
InChIKeyKMIMZNDTJCQNJI-DVFIUBRSSA-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 F (CHEBI:210567) is a cyclic peptide (CHEBI:23449)
IUPAC Name 
N-[4-[(2S,5S,8R,11R,14S,17R,20S,23R)-8-benzyl-17-methyl-11-(2-methylpropyl)-3,6,9,12,15,18,21,24-octaoxo-5,14,20,23-tetra(propan-2-yl)-1,4,7,10,13,16,19,22-octazacyclotetracos-2-yl]butyl]-7-(methylamino)-5,8-dioxoisoquinoline-4-carboxamide
Manual XrefsDatabases
78440591ChemSpider