EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:46575 - (2S,5R,8R,11S,14S,17S,21R)-5,8,11,14,17-PENTAMETHYL-4,7,10,13,16,19-HEXAOXADOCOSANE-2,21-DIOL

Default Structure
ChEBI IDCHEBI:46575
ChEBI Name(2S,5R,8R,11S,14S,17S,21R)-5,8,11,14,17-PENTAMETHYL-4,7,10,13,16,19-HEXAOXADOCOSANE-2,21-DIOL
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC21H44O8
Net Charge0
Average Mass424.575
Monoisotopic Mass424.30362
SMILES[H]O[C@@]([H])(C([H])([H])[H])C([H])([H])O[C@]([H])(C([H])([H])[H])C([H])([H])O[C@]([H])(C([H])([H])[H])C([H])([H])O[C@@]([H])(C([H])([H])[H])C([H])([H])O[C@@]([H])(C([H])([H])[H])C([H])([H])O[C@@]([H])(C([H])([H])[H])C([H])([H])OC([H])([H])[C@]([H])(O[H])C([H])([H])[H]
InChIInChI=1S/C21H44O8/c1-15(22)8-24-10-17(3)26-12-19(5)28-14-21(7)29-13-20(6)27-11-18(4)25-9-16(2)23/h15-23H,8-14H2,1-7H3/t15-,16+,17+,18-,19+,20-,21+/m1/s1
InChIKeyXGDXHSHOQKNIEW-YSPFXGIPSA-N
ChEBI Ontology
Outgoing Relation(s)
(2S,5R,8R,11S,14S,17S,21R)-5,8,11,14,17-PENTAMETHYL-4,7,10,13,16,19-HEXAOXADOCOSANE-2,21-DIOL (CHEBI:46575) is a unclassifieds (CHEBI:27189)
Synonyms  Source
(2S,5R,8R,11S,14S,17S,21R)-5,8,11,14,17-pentamethyl-4,7,10,13,16,19-hexaoxadocosane-2,21-diolPDBeChem
(2S,5R,8R,11S,14S,17S,21R)-5,8,11,14,17-PENTAMETHYL-4,7,10,13,16,19-HEXAOXADOCOSANE-2,21-DIOLPDBeChem
Manual XrefsDatabases
ZPGPDBeChem