EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:202566 - JBIR-13

ChEBI IDCHEBI:202566
ChEBI NameJBIR-13
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H51NO13
Net Charge0
Average Mass693.787
Monoisotopic Mass693.33604
SMILESCCCC1C/C=C\C=C/C=C\C=C/C(OC2OC(C)C(N)C(O)C2O)CC2OC(O)(CC(O)CC3OC3/C=C\C(=O)O1)CC(O)C2C(=O)O
InChIInChI=1S/C35H51NO13/c1-3-11-22-12-9-7-5-4-6-8-10-13-23(47-34-32(41)31(40)30(36)20(2)45-34)17-27-29(33(42)43)24(38)19-35(44,49-27)18-21(37)16-26-25(48-26)14-15-28(39)46-22/h4-10,13-15,20-27,29-32,34,37-38,40-41,44H,3,11-12,16-19,36H2,1-2H3,(H,42,43)/b5-4-,8-6-,9-7-,13-10-,15-14-
InChIKeyAJJXKYBIKLKLDF-RATFMTGRSA-N
Species of MetaboliteComponentSourceComments
Streptomyces bicolor (ncbitaxon:66874) - PubMed (19156407)
ChEBI Ontology
Outgoing Relation(s)
JBIR-13 (CHEBI:202566) is a aminoglycoside (CHEBI:47779)
IUPAC Name 
(8Z,14Z,16Z,18Z,20Z)-22-(5-amino-3,4-dihydroxy-6-methyloxan-2-yl)oxy-1,3,26-trihydroxy-10-oxo-12-propyl-6,11,28-trioxatricyclo[22.3.1.05,7]octacosa-8,14,16,18,20-pentaene-25-carboxylic acid
Manual XrefsDatabases
78444718ChemSpider