EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:223547 - S-11-A

ChEBI IDCHEBI:223547
ChEBI NameS-11-A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H33N3O11
Net Charge0
Average Mass455.461
Monoisotopic Mass455.21151
SMILESNCC1OC(OC2C(N)CC(O)C(O)C2OC2OC(CO)C(O)C2O)C(N)C(O)C1O
InChIInChI=1S/C17H33N3O11/c18-2-6-10(24)12(26)8(20)16(28-6)30-14-4(19)1-5(22)9(23)15(14)31-17-13(27)11(25)7(3-21)29-17/h4-17,21-27H,1-3,18-20H2
InChIKeyPPSXCTHLNCODRT-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Bacillus (ncbitaxon:1386) - PubMed (7429987)
ChEBI Ontology
Outgoing Relation(s)
S-11-A (CHEBI:223547) is a amino cyclitol (CHEBI:61689)
S-11-A (CHEBI:223547) is a glycoside (CHEBI:24400)
IUPAC Name 
5-amino-6-[6-amino-2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3,4-dihydroxycyclohexyl]oxy-2-(aminomethyl)oxane-3,4-diol
Manual XrefsDatabases
78444970ChemSpider