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CHEBI:206136 - FR182876

ChEBI IDCHEBI:206136
ChEBI NameFR182876
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H50N4O9
Net Charge0
Average Mass682.815
Monoisotopic Mass682.35778
SMILESCC(=O)NCCC(=O)N[C@@H](Cc1cncn1C)C(=O)O[C@]12O[C@@]3(C)CC[C@H](OC(=O)[C@@H]1[C@H]1[C@@H]4[C@H]5[C@H](O)[C@@H](C)[C@H](O)[C@@H]5C=C(C)[C@@H]4C[C@H]13)[C@H]2C
InChIInChI=1S/C36H50N4O9/c1-16-11-22-28(32(44)17(2)31(22)43)27-21(16)13-23-29(27)30-34(46)47-25-7-9-35(23,5)49-36(30,18(25)3)48-33(45)24(12-20-14-37-15-40(20)6)39-26(42)8-10-38-19(4)41/h11,14-15,17-18,21-25,27-32,43-44H,7-10,12-13H2,1-6H3,(H,38,41)(H,39,42)/t17-,18+,21-,22+,23+,24-,25-,27-,28-,29+,30-,31-,32+,35-,36+/m0/s1
InChIKeyXSSUYWMXGLYHHM-CEAKNYSVSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (15376555)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
FR182876 (CHEBI:206136) is a peptide (CHEBI:16670)
IUPAC Name 
[(1S,2R,4R,7R,8R,9R,10S,11R,12S,13S,14R,17S,18R,19S)-8,10-dihydroxy-1,5,9,18-tetramethyl-15-oxo-16,20-dioxahexacyclo[15.3.2.02,13.04,12.07,11.014,19]docos-5-en-19-yl] (2S)-2-(3-acetamidopropanoylamino)-3-(3-methylimidazol-4-yl)propanoate